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/R1203-6482ae19/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1203-6482ae19/inputs/seq.fa: 1 curr_seq: _GCCCGGAUAGCUCAGUCGGUAGAGCAGCGGGCACUAUGGGCGCAGUGUCAAUGGACGCUGACGGUACAGGCCAGACAAUUAUUGUCUGGUAUAGUGCCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCCGGAUAGCUCAGUCGGUAGAGCAGCGGGCACUAUGGGCGCAGUGUCAAUGGACGCUGACGGUACAGGCCAGACAAUUAUUGUCUGGUAUAGUGCCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA 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 134 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: 675 n_atoms_counter: 675 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 134.000000 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/R1203-6482ae19/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1203-6482ae19/inputs/seq.fa: 1 curr_seq: _GCCCGGAUAGCUCAGUCGGUAGAGCAGCGGGCACUAUGGGCGCAGUGUCAAUGGACGCUGACGGUACAGGCCAGACAAUUAUUGUCUGGUAUAGUGCCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCCGGAUAGCUCAGUCGGUAGAGCAGCGGGCACUAUGGGCGCAGUGUCAAUGGACGCUGACGGUACAGGCCAGACAAUUAUUGUCUGGUAUAGUGCCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA 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 134 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: 675 n_atoms_counter: 675 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 134.000000 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/R1203-6482ae19/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1203-6482ae19/inputs/seq.fa: 1 curr_seq: _GCCCGGAUAGCUCAGUCGGUAGAGCAGCGGGCACUAUGGGCGCAGUGUCAAUGGACGCUGACGGUACAGGCCAGACAAUUAUUGUCUGGUAUAGUGCCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCCGGAUAGCUCAGUCGGUAGAGCAGCGGGCACUAUGGGCGCAGUGUCAAUGGACGCUGACGGUACAGGCCAGACAAUUAUUGUCUGGUAUAGUGCCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA 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 134 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: 675 n_atoms_counter: 675 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 134.000000 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/R1203-6482ae19/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1203-6482ae19/inputs/seq.fa: 1 curr_seq: _GCCCGGAUAGCUCAGUCGGUAGAGCAGCGGGCACUAUGGGCGCAGUGUCAAUGGACGCUGACGGUACAGGCCAGACAAUUAUUGUCUGGUAUAGUGCCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCCGGAUAGCUCAGUCGGUAGAGCAGCGGGCACUAUGGGCGCAGUGUCAAUGGACGCUGACGGUACAGGCCAGACAAUUAUUGUCUGGUAUAGUGCCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA 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 134 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: 675 n_atoms_counter: 675 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 134.000000 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/R1203-6482ae19/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1203-6482ae19/inputs/seq.fa: 1 curr_seq: _GCCCGGAUAGCUCAGUCGGUAGAGCAGCGGGCACUAUGGGCGCAGUGUCAAUGGACGCUGACGGUACAGGCCAGACAAUUAUUGUCUGGUAUAGUGCCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCCGGAUAGCUCAGUCGGUAGAGCAGCGGGCACUAUGGGCGCAGUGUCAAUGGACGCUGACGGUACAGGCCAGACAAUUAUUGUCUGGUAUAGUGCCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA 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 134 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: 675 n_atoms_counter: 675 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 134.000000 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/R1203-6482ae19/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1203-6482ae19/inputs/seq.fa: 1 curr_seq: _GCCCGGAUAGCUCAGUCGGUAGAGCAGCGGGCACUAUGGGCGCAGUGUCAAUGGACGCUGACGGUACAGGCCAGACAAUUAUUGUCUGGUAUAGUGCCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCCGGAUAGCUCAGUCGGUAGAGCAGCGGGCACUAUGGGCGCAGUGUCAAUGGACGCUGACGGUACAGGCCAGACAAUUAUUGUCUGGUAUAGUGCCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA 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 134 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: 675 n_atoms_counter: 675 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 134.000000 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/R1203-6482ae19/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1203-6482ae19/inputs/seq.fa: 1 curr_seq: _GCCCGGAUAGCUCAGUCGGUAGAGCAGCGGGCACUAUGGGCGCAGUGUCAAUGGACGCUGACGGUACAGGCCAGACAAUUAUUGUCUGGUAUAGUGCCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCCGGAUAGCUCAGUCGGUAGAGCAGCGGGCACUAUGGGCGCAGUGUCAAUGGACGCUGACGGUACAGGCCAGACAAUUAUUGUCUGGUAUAGUGCCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA 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 134 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: 675 n_atoms_counter: 675 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 134.000000 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/R1203-6482ae19/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1203-6482ae19/inputs/seq.fa: 1 curr_seq: _GCCCGGAUAGCUCAGUCGGUAGAGCAGCGGGCACUAUGGGCGCAGUGUCAAUGGACGCUGACGGUACAGGCCAGACAAUUAUUGUCUGGUAUAGUGCCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCCGGAUAGCUCAGUCGGUAGAGCAGCGGGCACUAUGGGCGCAGUGUCAAUGGACGCUGACGGUACAGGCCAGACAAUUAUUGUCUGGUAUAGUGCCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA 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 134 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: 675 n_atoms_counter: 675 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 134.000000 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/R1203-6482ae19/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1203-6482ae19/inputs/seq.fa: 1 curr_seq: _GCCCGGAUAGCUCAGUCGGUAGAGCAGCGGGCACUAUGGGCGCAGUGUCAAUGGACGCUGACGGUACAGGCCAGACAAUUAUUGUCUGGUAUAGUGCCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCCGGAUAGCUCAGUCGGUAGAGCAGCGGGCACUAUGGGCGCAGUGUCAAUGGACGCUGACGGUACAGGCCAGACAAUUAUUGUCUGGUAUAGUGCCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA 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 134 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: 675 n_atoms_counter: 675 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 134.000000 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/R1203-6482ae19/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1203-6482ae19/inputs/seq.fa: 1 curr_seq: _GCCCGGAUAGCUCAGUCGGUAGAGCAGCGGGCACUAUGGGCGCAGUGUCAAUGGACGCUGACGGUACAGGCCAGACAAUUAUUGUCUGGUAUAGUGCCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCCGGAUAGCUCAGUCGGUAGAGCAGCGGGCACUAUGGGCGCAGUGUCAAUGGACGCUGACGGUACAGGCCAGACAAUUAUUGUCUGGUAUAGUGCCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA 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 134 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: 675 n_atoms_counter: 675 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 134.000000 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: -539.791893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.791893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.791893 (E_RNA) where: Base-Base interactions energy: -18.085 where: short stacking energy: -18.085 Base-Backbone interact. energy: -0.000 local terms energy: -521.706891 where: bonds (distance) C4'-P energy: -130.191 bonds (distance) P-C4' energy: -120.778 flat angles C4'-P-C4' energy: -98.386 flat angles P-C4'-P energy: -112.543 tors. eta vs tors. theta energy: -59.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -539.791893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.791893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.791893 (E_RNA) where: Base-Base interactions energy: -18.085 where: short stacking energy: -18.085 Base-Backbone interact. energy: -0.000 local terms energy: -521.706891 where: bonds (distance) C4'-P energy: -130.191 bonds (distance) P-C4' energy: -120.778 flat angles C4'-P-C4' energy: -98.386 flat angles P-C4'-P energy: -112.543 tors. eta vs tors. theta energy: -59.808 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: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -539.791893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.791893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.791893 (E_RNA) where: Base-Base interactions energy: -18.085 where: short stacking energy: -18.085 Base-Backbone interact. energy: -0.000 local terms energy: -521.706891 where: bonds (distance) C4'-P energy: -130.191 bonds (distance) P-C4' energy: -120.778 flat angles C4'-P-C4' energy: -98.386 flat angles P-C4'-P energy: -112.543 tors. eta vs tors. theta energy: -59.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -539.791893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.791893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.791893 (E_RNA) where: Base-Base interactions energy: -18.085 where: short stacking energy: -18.085 Base-Backbone interact. energy: -0.000 local terms energy: -521.706891 where: bonds (distance) C4'-P energy: -130.191 bonds (distance) P-C4' energy: -120.778 flat angles C4'-P-C4' energy: -98.386 flat angles P-C4'-P energy: -112.543 tors. eta vs tors. theta energy: -59.808 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: 1 Temperature: 1.100000 Total energy: -539.791893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.791893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.791893 (E_RNA) where: Base-Base interactions energy: -18.085 where: short stacking energy: -18.085 Base-Backbone interact. energy: -0.000 local terms energy: -521.706891 where: bonds (distance) C4'-P energy: -130.191 bonds (distance) P-C4' energy: -120.778 flat angles C4'-P-C4' energy: -98.386 flat angles P-C4'-P energy: -112.543 tors. eta vs tors. theta energy: -59.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -539.791893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.791893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.791893 (E_RNA) where: Base-Base interactions energy: -18.085 where: short stacking energy: -18.085 Base-Backbone interact. energy: -0.000 local terms energy: -521.706891 where: bonds (distance) C4'-P energy: -130.191 bonds (distance) P-C4' energy: -120.778 flat angles C4'-P-C4' energy: -98.386 flat angles P-C4'-P energy: -112.543 tors. eta vs tors. theta energy: -59.808 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: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -539.791893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.791893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.791893 (E_RNA) where: Base-Base interactions energy: -18.085 where: short stacking energy: -18.085 Base-Backbone interact. energy: -0.000 local terms energy: -521.706891 where: bonds (distance) C4'-P energy: -130.191 bonds (distance) P-C4' energy: -120.778 flat angles C4'-P-C4' energy: -98.386 flat angles P-C4'-P energy: -112.543 tors. eta vs tors. theta energy: -59.808 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: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -539.791893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.791893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.791893 (E_RNA) where: Base-Base interactions energy: -18.085 where: short stacking energy: -18.085 Base-Backbone interact. energy: -0.000 local terms energy: -521.706891 where: bonds (distance) C4'-P energy: -130.191 bonds (distance) P-C4' energy: -120.778 flat angles C4'-P-C4' energy: -98.386 flat angles P-C4'-P energy: -112.543 tors. eta vs tors. theta energy: -59.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -539.791893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.791893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.791893 (E_RNA) where: Base-Base interactions energy: -18.085 where: short stacking energy: -18.085 Base-Backbone interact. energy: -0.000 local terms energy: -521.706891 where: bonds (distance) C4'-P energy: -130.191 bonds (distance) P-C4' energy: -120.778 flat angles C4'-P-C4' energy: -98.386 flat angles P-C4'-P energy: -112.543 tors. eta vs tors. theta energy: -59.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -539.791893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.791893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.791893 (E_RNA) where: Base-Base interactions energy: -18.085 where: short stacking energy: -18.085 Base-Backbone interact. energy: -0.000 local terms energy: -521.706891 where: bonds (distance) C4'-P energy: -130.191 bonds (distance) P-C4' energy: -120.778 flat angles C4'-P-C4' energy: -98.386 flat angles P-C4'-P energy: -112.543 tors. eta vs tors. theta energy: -59.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -715.719003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.719003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.719003 (E_RNA) where: Base-Base interactions energy: -331.501 where: short stacking energy: -295.287 Base-Backbone interact. energy: -0.757 local terms energy: -383.460809 where: bonds (distance) C4'-P energy: -89.028 bonds (distance) P-C4' energy: -88.202 flat angles C4'-P-C4' energy: -86.392 flat angles P-C4'-P energy: -56.244 tors. eta vs tors. theta energy: -63.595 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: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -681.778786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.778786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.778786 (E_RNA) where: Base-Base interactions energy: -309.564 where: short stacking energy: -303.328 Base-Backbone interact. energy: -0.319 local terms energy: -371.895592 where: bonds (distance) C4'-P energy: -84.520 bonds (distance) P-C4' energy: -77.499 flat angles C4'-P-C4' energy: -91.750 flat angles P-C4'-P energy: -54.392 tors. eta vs tors. theta energy: -63.734 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: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -644.437679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.437679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.437679 (E_RNA) where: Base-Base interactions energy: -286.567 where: short stacking energy: -279.976 Base-Backbone interact. energy: -0.245 local terms energy: -357.626174 where: bonds (distance) C4'-P energy: -78.238 bonds (distance) P-C4' energy: -82.229 flat angles C4'-P-C4' energy: -70.206 flat angles P-C4'-P energy: -55.680 tors. eta vs tors. theta energy: -71.273 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: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -592.615846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.615846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.615846 (E_RNA) where: Base-Base interactions energy: -234.609 where: short stacking energy: -234.355 Base-Backbone interact. energy: -0.207 local terms energy: -357.800503 where: bonds (distance) C4'-P energy: -80.480 bonds (distance) P-C4' energy: -96.116 flat angles C4'-P-C4' energy: -85.125 flat angles P-C4'-P energy: -55.330 tors. eta vs tors. theta energy: -40.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -553.438573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.438573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.438573 (E_RNA) where: Base-Base interactions energy: -212.125 where: short stacking energy: -207.112 Base-Backbone interact. energy: -0.149 local terms energy: -341.164389 where: bonds (distance) C4'-P energy: -91.513 bonds (distance) P-C4' energy: -80.412 flat angles C4'-P-C4' energy: -82.216 flat angles P-C4'-P energy: -39.980 tors. eta vs tors. theta energy: -47.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -545.883632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.883632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.883632 (E_RNA) where: Base-Base interactions energy: -63.221 where: short stacking energy: -63.221 Base-Backbone interact. energy: -0.000 local terms energy: -482.662654 where: bonds (distance) C4'-P energy: -112.909 bonds (distance) P-C4' energy: -104.508 flat angles C4'-P-C4' energy: -97.864 flat angles P-C4'-P energy: -105.911 tors. eta vs tors. theta energy: -61.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -540.780857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.780857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.780857 (E_RNA) where: Base-Base interactions energy: -27.923 where: short stacking energy: -27.923 Base-Backbone interact. energy: -0.000 local terms energy: -512.857328 where: bonds (distance) C4'-P energy: -127.082 bonds (distance) P-C4' energy: -116.210 flat angles C4'-P-C4' energy: -96.974 flat angles P-C4'-P energy: -111.501 tors. eta vs tors. theta energy: -61.090 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: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -542.563380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.563380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.563380 (E_RNA) where: Base-Base interactions energy: -29.841 where: short stacking energy: -29.841 Base-Backbone interact. energy: -0.000 local terms energy: -512.722354 where: bonds (distance) C4'-P energy: -127.082 bonds (distance) P-C4' energy: -116.210 flat angles C4'-P-C4' energy: -96.974 flat angles P-C4'-P energy: -111.366 tors. eta vs tors. theta energy: -61.090 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: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -543.120981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.120981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.120981 (E_RNA) where: Base-Base interactions energy: -28.266 where: short stacking energy: -28.266 Base-Backbone interact. energy: -0.000 local terms energy: -514.854504 where: bonds (distance) C4'-P energy: -128.287 bonds (distance) P-C4' energy: -116.471 flat angles C4'-P-C4' energy: -97.702 flat angles P-C4'-P energy: -111.269 tors. eta vs tors. theta energy: -61.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -543.882765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.882765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.882765 (E_RNA) where: Base-Base interactions energy: -58.997 where: short stacking energy: -58.997 Base-Backbone interact. energy: -0.000 local terms energy: -484.885120 where: bonds (distance) C4'-P energy: -116.867 bonds (distance) P-C4' energy: -101.623 flat angles C4'-P-C4' energy: -98.685 flat angles P-C4'-P energy: -106.071 tors. eta vs tors. theta energy: -61.640 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: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -829.429999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.429999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.429999 (E_RNA) where: Base-Base interactions energy: -433.819 where: short stacking energy: -333.757 Base-Backbone interact. energy: -0.671 local terms energy: -394.939963 where: bonds (distance) C4'-P energy: -85.189 bonds (distance) P-C4' energy: -79.849 flat angles C4'-P-C4' energy: -94.408 flat angles P-C4'-P energy: -57.111 tors. eta vs tors. theta energy: -78.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -688.784533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.784533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.784533 (E_RNA) where: Base-Base interactions energy: -310.089 where: short stacking energy: -305.914 Base-Backbone interact. energy: -0.233 local terms energy: -378.462745 where: bonds (distance) C4'-P energy: -75.143 bonds (distance) P-C4' energy: -81.911 flat angles C4'-P-C4' energy: -79.648 flat angles P-C4'-P energy: -64.197 tors. eta vs tors. theta energy: -77.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -695.775774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.775774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.775774 (E_RNA) where: Base-Base interactions energy: -342.553 where: short stacking energy: -276.760 Base-Backbone interact. energy: 0.031 local terms energy: -353.253582 where: bonds (distance) C4'-P energy: -81.934 bonds (distance) P-C4' energy: -79.874 flat angles C4'-P-C4' energy: -90.227 flat angles P-C4'-P energy: -55.351 tors. eta vs tors. theta energy: -45.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -584.489653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.489653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.489653 (E_RNA) where: Base-Base interactions energy: -262.825 where: short stacking energy: -229.317 Base-Backbone interact. energy: -1.013 local terms energy: -320.651227 where: bonds (distance) C4'-P energy: -75.079 bonds (distance) P-C4' energy: -69.986 flat angles C4'-P-C4' energy: -90.667 flat angles P-C4'-P energy: -49.365 tors. eta vs tors. theta energy: -35.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -575.207341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.207341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.207341 (E_RNA) where: Base-Base interactions energy: -267.806 where: short stacking energy: -222.599 Base-Backbone interact. energy: 1.370 local terms energy: -308.770754 where: bonds (distance) C4'-P energy: -72.464 bonds (distance) P-C4' energy: -69.871 flat angles C4'-P-C4' energy: -80.017 flat angles P-C4'-P energy: -46.137 tors. eta vs tors. theta energy: -40.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -504.811069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.811069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.811069 (E_RNA) where: Base-Base interactions energy: -207.837 where: short stacking energy: -178.111 Base-Backbone interact. energy: -1.069 local terms energy: -295.905314 where: bonds (distance) C4'-P energy: -67.390 bonds (distance) P-C4' energy: -80.767 flat angles C4'-P-C4' energy: -76.421 flat angles P-C4'-P energy: -44.745 tors. eta vs tors. theta energy: -26.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -437.139796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.139796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.139796 (E_RNA) where: Base-Base interactions energy: -178.726 where: short stacking energy: -164.380 Base-Backbone interact. energy: -1.033 local terms energy: -257.381473 where: bonds (distance) C4'-P energy: -58.844 bonds (distance) P-C4' energy: -71.299 flat angles C4'-P-C4' energy: -74.344 flat angles P-C4'-P energy: -48.386 tors. eta vs tors. theta energy: -4.507 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: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -433.044731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.044731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.044731 (E_RNA) where: Base-Base interactions energy: -166.720 where: short stacking energy: -148.522 Base-Backbone interact. energy: -0.497 local terms energy: -265.827169 where: bonds (distance) C4'-P energy: -77.323 bonds (distance) P-C4' energy: -76.354 flat angles C4'-P-C4' energy: -55.162 flat angles P-C4'-P energy: -44.535 tors. eta vs tors. theta energy: -12.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -406.333080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.333080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.333080 (E_RNA) where: Base-Base interactions energy: -189.474 where: short stacking energy: -132.336 Base-Backbone interact. energy: -0.841 local terms energy: -216.017478 where: bonds (distance) C4'-P energy: -57.446 bonds (distance) P-C4' energy: -74.745 flat angles C4'-P-C4' energy: -52.448 flat angles P-C4'-P energy: -35.502 tors. eta vs tors. theta energy: 4.123 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: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -386.850017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.850017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.850017 (E_RNA) where: Base-Base interactions energy: -145.209 where: short stacking energy: -111.697 Base-Backbone interact. energy: 0.444 local terms energy: -242.084944 where: bonds (distance) C4'-P energy: -79.398 bonds (distance) P-C4' energy: -60.485 flat angles C4'-P-C4' energy: -60.158 flat angles P-C4'-P energy: -36.748 tors. eta vs tors. theta energy: -5.295 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: 4 Temperature: 0.900000 Total energy: -898.916853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.916853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.916853 (E_RNA) where: Base-Base interactions energy: -480.787 where: short stacking energy: -346.496 Base-Backbone interact. energy: -1.408 local terms energy: -416.721549 where: bonds (distance) C4'-P energy: -88.898 bonds (distance) P-C4' energy: -82.097 flat angles C4'-P-C4' energy: -87.488 flat angles P-C4'-P energy: -63.193 tors. eta vs tors. theta energy: -95.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -716.519780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.519780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.519780 (E_RNA) where: Base-Base interactions energy: -343.481 where: short stacking energy: -279.155 Base-Backbone interact. energy: -1.607 local terms energy: -371.432673 where: bonds (distance) C4'-P energy: -90.681 bonds (distance) P-C4' energy: -78.172 flat angles C4'-P-C4' energy: -90.437 flat angles P-C4'-P energy: -53.644 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: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -720.482162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.482162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.482162 (E_RNA) where: Base-Base interactions energy: -355.323 where: short stacking energy: -291.837 Base-Backbone interact. energy: -1.999 local terms energy: -363.159826 where: bonds (distance) C4'-P energy: -76.048 bonds (distance) P-C4' energy: -82.380 flat angles C4'-P-C4' energy: -88.633 flat angles P-C4'-P energy: -54.852 tors. eta vs tors. theta energy: -61.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -660.682883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.682883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.682883 (E_RNA) where: Base-Base interactions energy: -311.621 where: short stacking energy: -251.822 Base-Backbone interact. energy: -0.730 local terms energy: -348.331461 where: bonds (distance) C4'-P energy: -78.010 bonds (distance) P-C4' energy: -88.570 flat angles C4'-P-C4' energy: -80.197 flat angles P-C4'-P energy: -49.305 tors. eta vs tors. theta energy: -52.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -622.027302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.027302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.027302 (E_RNA) where: Base-Base interactions energy: -299.429 where: short stacking energy: -221.875 Base-Backbone interact. energy: -1.590 local terms energy: -321.008814 where: bonds (distance) C4'-P energy: -74.712 bonds (distance) P-C4' energy: -78.682 flat angles C4'-P-C4' energy: -86.659 flat angles P-C4'-P energy: -45.736 tors. eta vs tors. theta energy: -35.219 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: 6, replica: 7 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -559.027520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.027520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.027520 (E_RNA) where: Base-Base interactions energy: -256.279 where: short stacking energy: -187.034 Base-Backbone interact. energy: 1.109 local terms energy: -303.857473 where: bonds (distance) C4'-P energy: -65.788 bonds (distance) P-C4' energy: -86.214 flat angles C4'-P-C4' energy: -85.608 flat angles P-C4'-P energy: -46.257 tors. eta vs tors. theta energy: -19.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -492.418266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.418266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.418266 (E_RNA) where: Base-Base interactions energy: -236.464 where: short stacking energy: -171.432 Base-Backbone interact. energy: 1.627 local terms energy: -257.580866 where: bonds (distance) C4'-P energy: -73.305 bonds (distance) P-C4' energy: -72.846 flat angles C4'-P-C4' energy: -73.067 flat angles P-C4'-P energy: -22.220 tors. eta vs tors. theta energy: -16.143 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: 6 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -443.783008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.783008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.783008 (E_RNA) where: Base-Base interactions energy: -196.004 where: short stacking energy: -148.446 Base-Backbone interact. energy: 4.800 local terms energy: -252.578708 where: bonds (distance) C4'-P energy: -65.283 bonds (distance) P-C4' energy: -76.835 flat angles C4'-P-C4' energy: -68.568 flat angles P-C4'-P energy: -32.580 tors. eta vs tors. theta energy: -9.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -407.926621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.926621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.926621 (E_RNA) where: Base-Base interactions energy: -167.817 where: short stacking energy: -143.607 Base-Backbone interact. energy: -0.095 local terms energy: -240.013918 where: bonds (distance) C4'-P energy: -64.451 bonds (distance) P-C4' energy: -63.154 flat angles C4'-P-C4' energy: -66.250 flat angles P-C4'-P energy: -41.108 tors. eta vs tors. theta energy: -5.052 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: 10, replica: 9 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -362.828075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.828075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.828075 (E_RNA) where: Base-Base interactions energy: -133.331 where: short stacking energy: -125.962 Base-Backbone interact. energy: -0.130 local terms energy: -229.367209 where: bonds (distance) C4'-P energy: -67.570 bonds (distance) P-C4' energy: -78.490 flat angles C4'-P-C4' energy: -55.065 flat angles P-C4'-P energy: -31.038 tors. eta vs tors. theta energy: 2.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -901.105969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.105969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.105969 (E_RNA) where: Base-Base interactions energy: -487.606 where: short stacking energy: -353.018 Base-Backbone interact. energy: -1.099 local terms energy: -412.401574 where: bonds (distance) C4'-P energy: -99.484 bonds (distance) P-C4' energy: -91.569 flat angles C4'-P-C4' energy: -89.533 flat angles P-C4'-P energy: -59.442 tors. eta vs tors. theta energy: -72.373 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: 2, replica: 3 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -757.433732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.433732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.433732 (E_RNA) where: Base-Base interactions energy: -411.543 where: short stacking energy: -292.176 Base-Backbone interact. energy: -2.171 local terms energy: -343.719373 where: bonds (distance) C4'-P energy: -72.002 bonds (distance) P-C4' energy: -81.526 flat angles C4'-P-C4' energy: -84.699 flat angles P-C4'-P energy: -49.081 tors. eta vs tors. theta energy: -56.412 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: 3, replica: 2 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -673.982124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.982124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.982124 (E_RNA) where: Base-Base interactions energy: -330.932 where: short stacking energy: -257.991 Base-Backbone interact. energy: -0.542 local terms energy: -342.508832 where: bonds (distance) C4'-P energy: -79.432 bonds (distance) P-C4' energy: -80.520 flat angles C4'-P-C4' energy: -73.335 flat angles P-C4'-P energy: -52.428 tors. eta vs tors. theta energy: -56.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -691.808943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.808943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.808943 (E_RNA) where: Base-Base interactions energy: -352.634 where: short stacking energy: -261.963 Base-Backbone interact. energy: -1.351 local terms energy: -337.823367 where: bonds (distance) C4'-P energy: -82.102 bonds (distance) P-C4' energy: -64.646 flat angles C4'-P-C4' energy: -87.063 flat angles P-C4'-P energy: -45.607 tors. eta vs tors. theta energy: -58.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -630.917403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.917403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.917403 (E_RNA) where: Base-Base interactions energy: -300.216 where: short stacking energy: -228.526 Base-Backbone interact. energy: 0.784 local terms energy: -331.485107 where: bonds (distance) C4'-P energy: -83.119 bonds (distance) P-C4' energy: -73.620 flat angles C4'-P-C4' energy: -77.492 flat angles P-C4'-P energy: -49.797 tors. eta vs tors. theta energy: -47.457 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: 7 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -636.173232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.173232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.173232 (E_RNA) where: Base-Base interactions energy: -325.155 where: short stacking energy: -215.412 Base-Backbone interact. energy: 1.978 local terms energy: -312.996581 where: bonds (distance) C4'-P energy: -79.744 bonds (distance) P-C4' energy: -79.854 flat angles C4'-P-C4' energy: -67.017 flat angles P-C4'-P energy: -43.863 tors. eta vs tors. theta energy: -42.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -621.449542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.449542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.449542 (E_RNA) where: Base-Base interactions energy: -332.803 where: short stacking energy: -207.404 Base-Backbone interact. energy: 0.996 local terms energy: -289.643101 where: bonds (distance) C4'-P energy: -80.637 bonds (distance) P-C4' energy: -78.116 flat angles C4'-P-C4' energy: -59.106 flat angles P-C4'-P energy: -34.438 tors. eta vs tors. theta energy: -37.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -516.076033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.076033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.076033 (E_RNA) where: Base-Base interactions energy: -273.588 where: short stacking energy: -163.823 Base-Backbone interact. energy: -0.437 local terms energy: -242.050489 where: bonds (distance) C4'-P energy: -57.084 bonds (distance) P-C4' energy: -82.117 flat angles C4'-P-C4' energy: -59.698 flat angles P-C4'-P energy: -33.249 tors. eta vs tors. theta energy: -9.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -464.847847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.847847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.847847 (E_RNA) where: Base-Base interactions energy: -224.615 where: short stacking energy: -124.446 Base-Backbone interact. energy: -0.693 local terms energy: -239.540540 where: bonds (distance) C4'-P energy: -67.605 bonds (distance) P-C4' energy: -66.951 flat angles C4'-P-C4' energy: -64.246 flat angles P-C4'-P energy: -34.822 tors. eta vs tors. theta energy: -5.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -374.582675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.582675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.582675 (E_RNA) where: Base-Base interactions energy: -147.501 where: short stacking energy: -99.173 Base-Backbone interact. energy: -2.039 local terms energy: -225.041969 where: bonds (distance) C4'-P energy: -61.809 bonds (distance) P-C4' energy: -83.107 flat angles C4'-P-C4' energy: -51.293 flat angles P-C4'-P energy: -35.801 tors. eta vs tors. theta energy: 6.968 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: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -989.153448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.153448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.153448 (E_RNA) where: Base-Base interactions energy: -566.540 where: short stacking energy: -341.428 Base-Backbone interact. energy: 0.743 local terms energy: -423.355916 where: bonds (distance) C4'-P energy: -89.611 bonds (distance) P-C4' energy: -91.202 flat angles C4'-P-C4' energy: -98.865 flat angles P-C4'-P energy: -55.164 tors. eta vs tors. theta energy: -88.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -784.440580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.440580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.440580 (E_RNA) where: Base-Base interactions energy: -435.337 where: short stacking energy: -251.939 Base-Backbone interact. energy: -3.389 local terms energy: -345.714974 where: bonds (distance) C4'-P energy: -91.095 bonds (distance) P-C4' energy: -92.914 flat angles C4'-P-C4' energy: -74.527 flat angles P-C4'-P energy: -28.840 tors. eta vs tors. theta energy: -58.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -756.846684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.846684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.846684 (E_RNA) where: Base-Base interactions energy: -377.580 where: short stacking energy: -280.270 Base-Backbone interact. energy: -1.970 local terms energy: -377.296697 where: bonds (distance) C4'-P energy: -85.703 bonds (distance) P-C4' energy: -93.162 flat angles C4'-P-C4' energy: -85.019 flat angles P-C4'-P energy: -53.049 tors. eta vs tors. theta energy: -60.363 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: 6 Temperature: 1.050000 Total energy: -649.623425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.623425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.623425 (E_RNA) where: Base-Base interactions energy: -318.020 where: short stacking energy: -230.408 Base-Backbone interact. energy: -1.783 local terms energy: -329.820757 where: bonds (distance) C4'-P energy: -81.069 bonds (distance) P-C4' energy: -85.535 flat angles C4'-P-C4' energy: -73.944 flat angles P-C4'-P energy: -51.665 tors. eta vs tors. theta energy: -37.608 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: 7 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -762.178552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.178552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.178552 (E_RNA) where: Base-Base interactions energy: -444.420 where: short stacking energy: -228.340 Base-Backbone interact. energy: 1.544 local terms energy: -319.301893 where: bonds (distance) C4'-P energy: -62.509 bonds (distance) P-C4' energy: -83.887 flat angles C4'-P-C4' energy: -76.947 flat angles P-C4'-P energy: -51.965 tors. eta vs tors. theta energy: -43.993 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: 5 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -559.138683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.138683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.138683 (E_RNA) where: Base-Base interactions energy: -253.495 where: short stacking energy: -194.445 Base-Backbone interact. energy: -0.166 local terms energy: -305.476985 where: bonds (distance) C4'-P energy: -83.062 bonds (distance) P-C4' energy: -83.136 flat angles C4'-P-C4' energy: -81.281 flat angles P-C4'-P energy: -29.374 tors. eta vs tors. theta energy: -28.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -684.467151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.467151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.467151 (E_RNA) where: Base-Base interactions energy: -418.978 where: short stacking energy: -204.779 Base-Backbone interact. energy: -0.445 local terms energy: -265.043159 where: bonds (distance) C4'-P energy: -60.564 bonds (distance) P-C4' energy: -66.067 flat angles C4'-P-C4' energy: -71.924 flat angles P-C4'-P energy: -37.122 tors. eta vs tors. theta energy: -29.365 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: 8, replica: 6 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -519.898396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.898396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.898396 (E_RNA) where: Base-Base interactions energy: -248.293 where: short stacking energy: -180.062 Base-Backbone interact. energy: 3.771 local terms energy: -275.376399 where: bonds (distance) C4'-P energy: -66.170 bonds (distance) P-C4' energy: -75.765 flat angles C4'-P-C4' energy: -77.277 flat angles P-C4'-P energy: -35.636 tors. eta vs tors. theta energy: -20.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -555.167413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.167413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.167413 (E_RNA) where: Base-Base interactions energy: -303.428 where: short stacking energy: -157.511 Base-Backbone interact. energy: -1.652 local terms energy: -250.087882 where: bonds (distance) C4'-P energy: -64.574 bonds (distance) P-C4' energy: -86.215 flat angles C4'-P-C4' energy: -63.200 flat angles P-C4'-P energy: -27.340 tors. eta vs tors. theta energy: -8.760 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: 6 Temperature: 1.350000 Total energy: -347.805435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.805435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.805435 (E_RNA) where: Base-Base interactions energy: -137.283 where: short stacking energy: -106.281 Base-Backbone interact. energy: -0.408 local terms energy: -210.114383 where: bonds (distance) C4'-P energy: -66.880 bonds (distance) P-C4' energy: -76.725 flat angles C4'-P-C4' energy: -52.922 flat angles P-C4'-P energy: -22.851 tors. eta vs tors. theta energy: 9.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -978.853913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.853913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.853913 (E_RNA) where: Base-Base interactions energy: -569.926 where: short stacking energy: -333.115 Base-Backbone interact. energy: -0.948 local terms energy: -407.979530 where: bonds (distance) C4'-P energy: -91.555 bonds (distance) P-C4' energy: -88.578 flat angles C4'-P-C4' energy: -94.619 flat angles P-C4'-P energy: -59.679 tors. eta vs tors. theta energy: -73.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -866.721591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.721591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.721591 (E_RNA) where: Base-Base interactions energy: -521.137 where: short stacking energy: -278.810 Base-Backbone interact. energy: -2.035 local terms energy: -343.549622 where: bonds (distance) C4'-P energy: -76.028 bonds (distance) P-C4' energy: -85.299 flat angles C4'-P-C4' energy: -76.333 flat angles P-C4'-P energy: -52.222 tors. eta vs tors. theta energy: -53.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -789.968505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.968505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.968505 (E_RNA) where: Base-Base interactions energy: -423.901 where: short stacking energy: -305.358 Base-Backbone interact. energy: 1.473 local terms energy: -367.540143 where: bonds (distance) C4'-P energy: -79.997 bonds (distance) P-C4' energy: -75.572 flat angles C4'-P-C4' energy: -94.333 flat angles P-C4'-P energy: -54.064 tors. eta vs tors. theta energy: -63.574 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: 7 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -954.277796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.277796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.277796 (E_RNA) where: Base-Base interactions energy: -600.251 where: short stacking energy: -305.197 Base-Backbone interact. energy: -0.530 local terms energy: -353.497111 where: bonds (distance) C4'-P energy: -76.343 bonds (distance) P-C4' energy: -81.130 flat angles C4'-P-C4' energy: -81.898 flat angles P-C4'-P energy: -42.206 tors. eta vs tors. theta energy: -71.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -593.802897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.802897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.802897 (E_RNA) where: Base-Base interactions energy: -278.328 where: short stacking energy: -218.305 Base-Backbone interact. energy: -1.959 local terms energy: -313.515054 where: bonds (distance) C4'-P energy: -78.019 bonds (distance) P-C4' energy: -83.641 flat angles C4'-P-C4' energy: -77.523 flat angles P-C4'-P energy: -34.633 tors. eta vs tors. theta energy: -39.699 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: 6, replica: 8 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -844.802691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.802691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.802691 (E_RNA) where: Base-Base interactions energy: -515.986 where: short stacking energy: -257.424 Base-Backbone interact. energy: 1.356 local terms energy: -330.173225 where: bonds (distance) C4'-P energy: -63.810 bonds (distance) P-C4' energy: -85.493 flat angles C4'-P-C4' energy: -76.884 flat angles P-C4'-P energy: -39.046 tors. eta vs tors. theta energy: -64.940 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: 5 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -501.684534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.684534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.684534 (E_RNA) where: Base-Base interactions energy: -236.545 where: short stacking energy: -148.592 Base-Backbone interact. energy: -1.297 local terms energy: -263.843070 where: bonds (distance) C4'-P energy: -72.618 bonds (distance) P-C4' energy: -62.554 flat angles C4'-P-C4' energy: -65.007 flat angles P-C4'-P energy: -51.775 tors. eta vs tors. theta energy: -11.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -644.274031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.274031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.274031 (E_RNA) where: Base-Base interactions energy: -357.955 where: short stacking energy: -219.127 Base-Backbone interact. energy: 0.565 local terms energy: -286.884429 where: bonds (distance) C4'-P energy: -71.760 bonds (distance) P-C4' energy: -81.317 flat angles C4'-P-C4' energy: -65.462 flat angles P-C4'-P energy: -30.607 tors. eta vs tors. theta energy: -37.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -497.359986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.359986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.359986 (E_RNA) where: Base-Base interactions energy: -260.867 where: short stacking energy: -154.271 Base-Backbone interact. energy: 0.383 local terms energy: -236.876015 where: bonds (distance) C4'-P energy: -64.390 bonds (distance) P-C4' energy: -66.146 flat angles C4'-P-C4' energy: -58.736 flat angles P-C4'-P energy: -36.607 tors. eta vs tors. theta energy: -10.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -335.792385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.792385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.792385 (E_RNA) where: Base-Base interactions energy: -113.332 where: short stacking energy: -97.316 Base-Backbone interact. energy: 1.093 local terms energy: -223.553655 where: bonds (distance) C4'-P energy: -69.317 bonds (distance) P-C4' energy: -74.454 flat angles C4'-P-C4' energy: -53.407 flat angles P-C4'-P energy: -44.555 tors. eta vs tors. theta energy: 18.178 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: 1, replica: 3 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -966.629072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.629072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.629072 (E_RNA) where: Base-Base interactions energy: -576.203 where: short stacking energy: -335.378 Base-Backbone interact. energy: 1.090 local terms energy: -391.516105 where: bonds (distance) C4'-P energy: -89.629 bonds (distance) P-C4' energy: -81.100 flat angles C4'-P-C4' energy: -88.112 flat angles P-C4'-P energy: -61.322 tors. eta vs tors. theta energy: -71.353 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: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -964.631415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.631415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.631415 (E_RNA) where: Base-Base interactions energy: -580.221 where: short stacking energy: -325.816 Base-Backbone interact. energy: -1.745 local terms energy: -382.665661 where: bonds (distance) C4'-P energy: -82.589 bonds (distance) P-C4' energy: -84.613 flat angles C4'-P-C4' energy: -92.449 flat angles P-C4'-P energy: -38.153 tors. eta vs tors. theta energy: -84.862 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: 7 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1029.160154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.160154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.160154 (E_RNA) where: Base-Base interactions energy: -665.404 where: short stacking energy: -310.860 Base-Backbone interact. energy: -2.470 local terms energy: -361.285898 where: bonds (distance) C4'-P energy: -82.071 bonds (distance) P-C4' energy: -86.121 flat angles C4'-P-C4' energy: -76.532 flat angles P-C4'-P energy: -54.330 tors. eta vs tors. theta energy: -62.232 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: 4, replica: 4 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -759.334620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.334620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.334620 (E_RNA) where: Base-Base interactions energy: -397.951 where: short stacking energy: -293.264 Base-Backbone interact. energy: 0.054 local terms energy: -361.437225 where: bonds (distance) C4'-P energy: -68.835 bonds (distance) P-C4' energy: -92.015 flat angles C4'-P-C4' energy: -78.237 flat angles P-C4'-P energy: -55.558 tors. eta vs tors. theta energy: -66.793 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: 8 Temperature: 1.100000 Total energy: -947.577262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.577262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.577262 (E_RNA) where: Base-Base interactions energy: -603.037 where: short stacking energy: -307.321 Base-Backbone interact. energy: 0.688 local terms energy: -345.228569 where: bonds (distance) C4'-P energy: -79.758 bonds (distance) P-C4' energy: -76.894 flat angles C4'-P-C4' energy: -71.431 flat angles P-C4'-P energy: -51.754 tors. eta vs tors. theta energy: -65.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -528.565929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.565929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.565929 (E_RNA) where: Base-Base interactions energy: -246.580 where: short stacking energy: -207.311 Base-Backbone interact. energy: -0.247 local terms energy: -281.739219 where: bonds (distance) C4'-P energy: -76.434 bonds (distance) P-C4' energy: -72.730 flat angles C4'-P-C4' energy: -69.728 flat angles P-C4'-P energy: -31.920 tors. eta vs tors. theta energy: -30.927 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: 10 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -688.540164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.540164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.540164 (E_RNA) where: Base-Base interactions energy: -403.618 where: short stacking energy: -208.411 Base-Backbone interact. energy: -1.380 local terms energy: -283.542193 where: bonds (distance) C4'-P energy: -62.152 bonds (distance) P-C4' energy: -73.746 flat angles C4'-P-C4' energy: -70.910 flat angles P-C4'-P energy: -36.457 tors. eta vs tors. theta energy: -40.277 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: 5 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -519.143153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.143153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.143153 (E_RNA) where: Base-Base interactions energy: -248.994 where: short stacking energy: -140.737 Base-Backbone interact. energy: -3.190 local terms energy: -266.959894 where: bonds (distance) C4'-P energy: -84.444 bonds (distance) P-C4' energy: -77.344 flat angles C4'-P-C4' energy: -56.917 flat angles P-C4'-P energy: -36.210 tors. eta vs tors. theta energy: -12.044 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: 8 Temperature: 1.300000 Total energy: -502.734743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.734743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.734743 (E_RNA) where: Base-Base interactions energy: -238.679 where: short stacking energy: -148.879 Base-Backbone interact. energy: -1.530 local terms energy: -262.525370 where: bonds (distance) C4'-P energy: -63.281 bonds (distance) P-C4' energy: -76.416 flat angles C4'-P-C4' energy: -75.807 flat angles P-C4'-P energy: -39.122 tors. eta vs tors. theta energy: -7.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -362.979111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.979111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.979111 (E_RNA) where: Base-Base interactions energy: -127.181 where: short stacking energy: -106.664 Base-Backbone interact. energy: -1.025 local terms energy: -234.773258 where: bonds (distance) C4'-P energy: -70.126 bonds (distance) P-C4' energy: -77.550 flat angles C4'-P-C4' energy: -54.140 flat angles P-C4'-P energy: -40.110 tors. eta vs tors. theta energy: 7.153 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: 3 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1018.045143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.045143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.045143 (E_RNA) where: Base-Base interactions energy: -629.192 where: short stacking energy: -316.293 Base-Backbone interact. energy: -2.784 local terms energy: -386.068469 where: bonds (distance) C4'-P energy: -73.607 bonds (distance) P-C4' energy: -93.047 flat angles C4'-P-C4' energy: -85.135 flat angles P-C4'-P energy: -62.086 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: 2, replica: 7 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1109.282128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.282128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.282128 (E_RNA) where: Base-Base interactions energy: -705.252 where: short stacking energy: -339.057 Base-Backbone interact. energy: -1.438 local terms energy: -402.592485 where: bonds (distance) C4'-P energy: -91.052 bonds (distance) P-C4' energy: -80.750 flat angles C4'-P-C4' energy: -84.220 flat angles P-C4'-P energy: -64.926 tors. eta vs tors. theta energy: -81.644 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: 3, replica: 1 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -956.620691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.620691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.620691 (E_RNA) where: Base-Base interactions energy: -585.505 where: short stacking energy: -320.649 Base-Backbone interact. energy: -0.661 local terms energy: -370.455235 where: bonds (distance) C4'-P energy: -76.666 bonds (distance) P-C4' energy: -82.878 flat angles C4'-P-C4' energy: -95.235 flat angles P-C4'-P energy: -39.246 tors. eta vs tors. theta energy: -76.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -963.996580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.996580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.996580 (E_RNA) where: Base-Base interactions energy: -622.083 where: short stacking energy: -290.909 Base-Backbone interact. energy: 0.924 local terms energy: -342.837471 where: bonds (distance) C4'-P energy: -79.024 bonds (distance) P-C4' energy: -76.729 flat angles C4'-P-C4' energy: -76.190 flat angles P-C4'-P energy: -45.772 tors. eta vs tors. theta energy: -65.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -784.418354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.418354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.418354 (E_RNA) where: Base-Base interactions energy: -452.114 where: short stacking energy: -262.266 Base-Backbone interact. energy: 2.354 local terms energy: -334.658985 where: bonds (distance) C4'-P energy: -62.565 bonds (distance) P-C4' energy: -87.806 flat angles C4'-P-C4' energy: -82.555 flat angles P-C4'-P energy: -52.231 tors. eta vs tors. theta energy: -49.502 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: 10 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -752.652866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.652866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.652866 (E_RNA) where: Base-Base interactions energy: -429.414 where: short stacking energy: -254.620 Base-Backbone interact. energy: -1.651 local terms energy: -321.587071 where: bonds (distance) C4'-P energy: -72.358 bonds (distance) P-C4' energy: -68.228 flat angles C4'-P-C4' energy: -72.952 flat angles P-C4'-P energy: -51.947 tors. eta vs tors. theta energy: -56.103 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: 7, replica: 2 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -519.143842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.143842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.143842 (E_RNA) where: Base-Base interactions energy: -210.170 where: short stacking energy: -175.092 Base-Backbone interact. energy: 0.631 local terms energy: -309.605268 where: bonds (distance) C4'-P energy: -86.489 bonds (distance) P-C4' energy: -77.440 flat angles C4'-P-C4' energy: -71.084 flat angles P-C4'-P energy: -39.596 tors. eta vs tors. theta energy: -34.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -497.470800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.470800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.470800 (E_RNA) where: Base-Base interactions energy: -231.831 where: short stacking energy: -158.634 Base-Backbone interact. energy: -2.146 local terms energy: -263.493762 where: bonds (distance) C4'-P energy: -66.690 bonds (distance) P-C4' energy: -82.360 flat angles C4'-P-C4' energy: -73.591 flat angles P-C4'-P energy: -24.046 tors. eta vs tors. theta energy: -16.807 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: 9, replica: 6 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -552.119116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.119116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.119116 (E_RNA) where: Base-Base interactions energy: -308.811 where: short stacking energy: -151.263 Base-Backbone interact. energy: -1.011 local terms energy: -242.296946 where: bonds (distance) C4'-P energy: -71.932 bonds (distance) P-C4' energy: -68.275 flat angles C4'-P-C4' energy: -51.365 flat angles P-C4'-P energy: -41.061 tors. eta vs tors. theta energy: -9.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -385.704979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.704979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.704979 (E_RNA) where: Base-Base interactions energy: -184.566 where: short stacking energy: -117.834 Base-Backbone interact. energy: -1.487 local terms energy: -199.651915 where: bonds (distance) C4'-P energy: -40.361 bonds (distance) P-C4' energy: -74.250 flat angles C4'-P-C4' energy: -47.972 flat angles P-C4'-P energy: -43.431 tors. eta vs tors. theta energy: 6.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1216.595044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.595044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.595044 (E_RNA) where: Base-Base interactions energy: -793.420 where: short stacking energy: -376.723 Base-Backbone interact. energy: 6.168 local terms energy: -429.342317 where: bonds (distance) C4'-P energy: -82.197 bonds (distance) P-C4' energy: -86.878 flat angles C4'-P-C4' energy: -99.556 flat angles P-C4'-P energy: -60.569 tors. eta vs tors. theta energy: -100.142 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: 3 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1002.801451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.801451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.801451 (E_RNA) where: Base-Base interactions energy: -622.083 where: short stacking energy: -333.262 Base-Backbone interact. energy: -0.439 local terms energy: -380.279531 where: bonds (distance) C4'-P energy: -88.309 bonds (distance) P-C4' energy: -95.361 flat angles C4'-P-C4' energy: -89.303 flat angles P-C4'-P energy: -49.951 tors. eta vs tors. theta energy: -57.355 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: 3, replica: 8 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1073.181877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.181877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.181877 (E_RNA) where: Base-Base interactions energy: -694.669 where: short stacking energy: -341.888 Base-Backbone interact. energy: -1.982 local terms energy: -376.530225 where: bonds (distance) C4'-P energy: -78.766 bonds (distance) P-C4' energy: -86.806 flat angles C4'-P-C4' energy: -90.482 flat angles P-C4'-P energy: -49.072 tors. eta vs tors. theta energy: -71.404 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: 1 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -881.109291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.109291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.109291 (E_RNA) where: Base-Base interactions energy: -518.709 where: short stacking energy: -287.049 Base-Backbone interact. energy: -0.849 local terms energy: -361.551850 where: bonds (distance) C4'-P energy: -78.927 bonds (distance) P-C4' energy: -89.894 flat angles C4'-P-C4' energy: -89.938 flat angles P-C4'-P energy: -36.743 tors. eta vs tors. theta energy: -66.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -886.937534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.937534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.937534 (E_RNA) where: Base-Base interactions energy: -523.033 where: short stacking energy: -273.414 Base-Backbone interact. energy: -1.079 local terms energy: -362.824776 where: bonds (distance) C4'-P energy: -70.628 bonds (distance) P-C4' energy: -86.807 flat angles C4'-P-C4' energy: -87.231 flat angles P-C4'-P energy: -60.885 tors. eta vs tors. theta energy: -57.274 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: 4 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -769.494190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.494190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.494190 (E_RNA) where: Base-Base interactions energy: -459.753 where: short stacking energy: -234.235 Base-Backbone interact. energy: -0.956 local terms energy: -308.784466 where: bonds (distance) C4'-P energy: -69.227 bonds (distance) P-C4' energy: -81.274 flat angles C4'-P-C4' energy: -69.201 flat angles P-C4'-P energy: -48.315 tors. eta vs tors. theta energy: -40.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -633.544280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.544280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.544280 (E_RNA) where: Base-Base interactions energy: -367.008 where: short stacking energy: -223.062 Base-Backbone interact. energy: -1.012 local terms energy: -265.523972 where: bonds (distance) C4'-P energy: -71.506 bonds (distance) P-C4' energy: -80.296 flat angles C4'-P-C4' energy: -64.195 flat angles P-C4'-P energy: -25.809 tors. eta vs tors. theta energy: -23.717 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: 2 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -387.657669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.657669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.657669 (E_RNA) where: Base-Base interactions energy: -143.256 where: short stacking energy: -131.067 Base-Backbone interact. energy: 2.441 local terms energy: -246.842188 where: bonds (distance) C4'-P energy: -87.136 bonds (distance) P-C4' energy: -64.462 flat angles C4'-P-C4' energy: -60.473 flat angles P-C4'-P energy: -30.538 tors. eta vs tors. theta energy: -4.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -637.143647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.143647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.143647 (E_RNA) where: Base-Base interactions energy: -354.234 where: short stacking energy: -187.398 Base-Backbone interact. energy: -1.156 local terms energy: -281.753349 where: bonds (distance) C4'-P energy: -74.383 bonds (distance) P-C4' energy: -77.036 flat angles C4'-P-C4' energy: -65.515 flat angles P-C4'-P energy: -39.540 tors. eta vs tors. theta energy: -25.280 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: 9 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -397.404184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.404184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.404184 (E_RNA) where: Base-Base interactions energy: -167.710 where: short stacking energy: -132.440 Base-Backbone interact. energy: 2.489 local terms energy: -232.182503 where: bonds (distance) C4'-P energy: -57.773 bonds (distance) P-C4' energy: -76.288 flat angles C4'-P-C4' energy: -54.922 flat angles P-C4'-P energy: -48.435 tors. eta vs tors. theta energy: 5.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1211.976725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.976725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.976725 (E_RNA) where: Base-Base interactions energy: -800.872 where: short stacking energy: -372.526 Base-Backbone interact. energy: -3.492 local terms energy: -407.613639 where: bonds (distance) C4'-P energy: -80.722 bonds (distance) P-C4' energy: -85.880 flat angles C4'-P-C4' energy: -78.711 flat angles P-C4'-P energy: -56.642 tors. eta vs tors. theta energy: -105.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1177.675342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.675342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.675342 (E_RNA) where: Base-Base interactions energy: -768.695 where: short stacking energy: -383.686 Base-Backbone interact. energy: -1.796 local terms energy: -407.183963 where: bonds (distance) C4'-P energy: -85.358 bonds (distance) P-C4' energy: -83.985 flat angles C4'-P-C4' energy: -87.864 flat angles P-C4'-P energy: -55.714 tors. eta vs tors. theta energy: -94.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -935.962686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.962686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.962686 (E_RNA) where: Base-Base interactions energy: -576.932 where: short stacking energy: -318.320 Base-Backbone interact. energy: 0.897 local terms energy: -359.927790 where: bonds (distance) C4'-P energy: -81.409 bonds (distance) P-C4' energy: -73.947 flat angles C4'-P-C4' energy: -88.791 flat angles P-C4'-P energy: -48.666 tors. eta vs tors. theta energy: -67.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -893.794942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.794942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.794942 (E_RNA) where: Base-Base interactions energy: -540.906 where: short stacking energy: -286.725 Base-Backbone interact. energy: -1.001 local terms energy: -351.888029 where: bonds (distance) C4'-P energy: -85.341 bonds (distance) P-C4' energy: -72.221 flat angles C4'-P-C4' energy: -81.393 flat angles P-C4'-P energy: -44.086 tors. eta vs tors. theta energy: -68.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -915.084670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.084670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.084670 (E_RNA) where: Base-Base interactions energy: -591.110 where: short stacking energy: -280.435 Base-Backbone interact. energy: -0.896 local terms energy: -323.078456 where: bonds (distance) C4'-P energy: -71.880 bonds (distance) P-C4' energy: -67.192 flat angles C4'-P-C4' energy: -73.175 flat angles P-C4'-P energy: -43.083 tors. eta vs tors. theta energy: -67.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -694.870046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.870046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.870046 (E_RNA) where: Base-Base interactions energy: -396.106 where: short stacking energy: -228.777 Base-Backbone interact. energy: -1.477 local terms energy: -297.287197 where: bonds (distance) C4'-P energy: -69.860 bonds (distance) P-C4' energy: -67.468 flat angles C4'-P-C4' energy: -66.468 flat angles P-C4'-P energy: -50.233 tors. eta vs tors. theta energy: -43.259 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: 11 Temperature: 1.200000 Total energy: -628.098069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.098069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.098069 (E_RNA) where: Base-Base interactions energy: -357.070 where: short stacking energy: -194.852 Base-Backbone interact. energy: -1.838 local terms energy: -269.189485 where: bonds (distance) C4'-P energy: -66.673 bonds (distance) P-C4' energy: -83.082 flat angles C4'-P-C4' energy: -55.718 flat angles P-C4'-P energy: -49.653 tors. eta vs tors. theta energy: -14.063 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: 6 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -645.359444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.359444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.359444 (E_RNA) where: Base-Base interactions energy: -375.332 where: short stacking energy: -184.775 Base-Backbone interact. energy: 0.424 local terms energy: -270.451292 where: bonds (distance) C4'-P energy: -64.023 bonds (distance) P-C4' energy: -66.743 flat angles C4'-P-C4' energy: -67.257 flat angles P-C4'-P energy: -46.030 tors. eta vs tors. theta energy: -26.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -384.924426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.924426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.924426 (E_RNA) where: Base-Base interactions energy: -157.874 where: short stacking energy: -121.616 Base-Backbone interact. energy: 3.138 local terms energy: -230.188062 where: bonds (distance) C4'-P energy: -62.417 bonds (distance) P-C4' energy: -60.392 flat angles C4'-P-C4' energy: -75.581 flat angles P-C4'-P energy: -35.029 tors. eta vs tors. theta energy: 3.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -435.616289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.616289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.616289 (E_RNA) where: Base-Base interactions energy: -217.850 where: short stacking energy: -133.856 Base-Backbone interact. energy: 1.006 local terms energy: -218.771575 where: bonds (distance) C4'-P energy: -71.511 bonds (distance) P-C4' energy: -63.091 flat angles C4'-P-C4' energy: -48.342 flat angles P-C4'-P energy: -25.224 tors. eta vs tors. theta energy: -10.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1220.359665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.359665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.359665 (E_RNA) where: Base-Base interactions energy: -799.099 where: short stacking energy: -369.172 Base-Backbone interact. energy: -2.313 local terms energy: -418.948231 where: bonds (distance) C4'-P energy: -79.501 bonds (distance) P-C4' energy: -91.015 flat angles C4'-P-C4' energy: -94.161 flat angles P-C4'-P energy: -54.228 tors. eta vs tors. theta energy: -100.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1174.686797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.686797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.686797 (E_RNA) where: Base-Base interactions energy: -764.131 where: short stacking energy: -361.006 Base-Backbone interact. energy: -1.571 local terms energy: -408.985093 where: bonds (distance) C4'-P energy: -86.273 bonds (distance) P-C4' energy: -85.813 flat angles C4'-P-C4' energy: -96.359 flat angles P-C4'-P energy: -66.273 tors. eta vs tors. theta energy: -74.266 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: 3 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -934.171305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.171305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.171305 (E_RNA) where: Base-Base interactions energy: -579.613 where: short stacking energy: -285.509 Base-Backbone interact. energy: -1.718 local terms energy: -352.841011 where: bonds (distance) C4'-P energy: -78.409 bonds (distance) P-C4' energy: -85.518 flat angles C4'-P-C4' energy: -92.420 flat angles P-C4'-P energy: -39.812 tors. eta vs tors. theta energy: -56.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -939.187480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.187480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.187480 (E_RNA) where: Base-Base interactions energy: -569.671 where: short stacking energy: -306.055 Base-Backbone interact. energy: -0.792 local terms energy: -368.724417 where: bonds (distance) C4'-P energy: -80.071 bonds (distance) P-C4' energy: -80.341 flat angles C4'-P-C4' energy: -89.042 flat angles P-C4'-P energy: -49.323 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: 5, replica: 10 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -991.079173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.079173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.079173 (E_RNA) where: Base-Base interactions energy: -619.637 where: short stacking energy: -304.611 Base-Backbone interact. energy: -2.568 local terms energy: -368.874302 where: bonds (distance) C4'-P energy: -84.045 bonds (distance) P-C4' energy: -72.186 flat angles C4'-P-C4' energy: -76.989 flat angles P-C4'-P energy: -65.643 tors. eta vs tors. theta energy: -70.012 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: 5 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -664.031973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.031973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.031973 (E_RNA) where: Base-Base interactions energy: -385.016 where: short stacking energy: -230.210 Base-Backbone interact. energy: 1.009 local terms energy: -280.025046 where: bonds (distance) C4'-P energy: -64.821 bonds (distance) P-C4' energy: -73.716 flat angles C4'-P-C4' energy: -67.728 flat angles P-C4'-P energy: -32.874 tors. eta vs tors. theta energy: -40.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -741.484096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.484096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.484096 (E_RNA) where: Base-Base interactions energy: -439.000 where: short stacking energy: -212.546 Base-Backbone interact. energy: -1.237 local terms energy: -301.246885 where: bonds (distance) C4'-P energy: -70.089 bonds (distance) P-C4' energy: -76.893 flat angles C4'-P-C4' energy: -66.111 flat angles P-C4'-P energy: -56.100 tors. eta vs tors. theta energy: -32.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -579.608397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.608397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.608397 (E_RNA) where: Base-Base interactions energy: -315.169 where: short stacking energy: -198.725 Base-Backbone interact. energy: -0.757 local terms energy: -263.681637 where: bonds (distance) C4'-P energy: -62.967 bonds (distance) P-C4' energy: -68.441 flat angles C4'-P-C4' energy: -67.402 flat angles P-C4'-P energy: -35.032 tors. eta vs tors. theta energy: -29.840 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: 9 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -445.632786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.632786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.632786 (E_RNA) where: Base-Base interactions energy: -214.039 where: short stacking energy: -128.686 Base-Backbone interact. energy: 1.055 local terms energy: -232.648964 where: bonds (distance) C4'-P energy: -56.908 bonds (distance) P-C4' energy: -67.534 flat angles C4'-P-C4' energy: -74.452 flat angles P-C4'-P energy: -42.404 tors. eta vs tors. theta energy: 8.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -374.201025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.201025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.201025 (E_RNA) where: Base-Base interactions energy: -161.137 where: short stacking energy: -126.274 Base-Backbone interact. energy: 2.712 local terms energy: -215.775592 where: bonds (distance) C4'-P energy: -69.099 bonds (distance) P-C4' energy: -69.226 flat angles C4'-P-C4' energy: -56.610 flat angles P-C4'-P energy: -35.059 tors. eta vs tors. theta energy: 14.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1226.535025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.535025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.535025 (E_RNA) where: Base-Base interactions energy: -809.334 where: short stacking energy: -402.237 Base-Backbone interact. energy: -3.158 local terms energy: -414.042477 where: bonds (distance) C4'-P energy: -88.287 bonds (distance) P-C4' energy: -75.846 flat angles C4'-P-C4' energy: -100.474 flat angles P-C4'-P energy: -56.626 tors. eta vs tors. theta energy: -92.810 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: 8 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1196.491909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.491909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.491909 (E_RNA) where: Base-Base interactions energy: -782.454 where: short stacking energy: -373.762 Base-Backbone interact. energy: -1.151 local terms energy: -412.887472 where: bonds (distance) C4'-P energy: -82.387 bonds (distance) P-C4' energy: -90.164 flat angles C4'-P-C4' energy: -96.721 flat angles P-C4'-P energy: -55.273 tors. eta vs tors. theta energy: -88.343 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: 3 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -927.862608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.862608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.862608 (E_RNA) where: Base-Base interactions energy: -564.297 where: short stacking energy: -310.922 Base-Backbone interact. energy: -0.746 local terms energy: -362.820299 where: bonds (distance) C4'-P energy: -79.178 bonds (distance) P-C4' energy: -81.043 flat angles C4'-P-C4' energy: -78.496 flat angles P-C4'-P energy: -54.045 tors. eta vs tors. theta energy: -70.058 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: 10 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1031.632260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.632260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.632260 (E_RNA) where: Base-Base interactions energy: -654.402 where: short stacking energy: -306.258 Base-Backbone interact. energy: -0.393 local terms energy: -376.837602 where: bonds (distance) C4'-P energy: -82.366 bonds (distance) P-C4' energy: -74.963 flat angles C4'-P-C4' energy: -83.700 flat angles P-C4'-P energy: -56.140 tors. eta vs tors. theta energy: -79.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -910.407563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.407563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.407563 (E_RNA) where: Base-Base interactions energy: -578.159 where: short stacking energy: -275.204 Base-Backbone interact. energy: 0.430 local terms energy: -332.678130 where: bonds (distance) C4'-P energy: -76.950 bonds (distance) P-C4' energy: -76.444 flat angles C4'-P-C4' energy: -72.465 flat angles P-C4'-P energy: -53.540 tors. eta vs tors. theta energy: -53.280 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: 6 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -863.004620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.004620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.004620 (E_RNA) where: Base-Base interactions energy: -541.862 where: short stacking energy: -267.483 Base-Backbone interact. energy: -1.035 local terms energy: -320.107257 where: bonds (distance) C4'-P energy: -65.827 bonds (distance) P-C4' energy: -80.676 flat angles C4'-P-C4' energy: -81.921 flat angles P-C4'-P energy: -38.228 tors. eta vs tors. theta energy: -53.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -666.982198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.982198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.982198 (E_RNA) where: Base-Base interactions energy: -364.761 where: short stacking energy: -205.714 Base-Backbone interact. energy: -0.922 local terms energy: -301.299820 where: bonds (distance) C4'-P energy: -71.665 bonds (distance) P-C4' energy: -76.689 flat angles C4'-P-C4' energy: -81.548 flat angles P-C4'-P energy: -40.054 tors. eta vs tors. theta energy: -31.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -517.692410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.692410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.692410 (E_RNA) where: Base-Base interactions energy: -249.624 where: short stacking energy: -160.313 Base-Backbone interact. energy: 1.085 local terms energy: -269.153793 where: bonds (distance) C4'-P energy: -69.995 bonds (distance) P-C4' energy: -66.488 flat angles C4'-P-C4' energy: -77.372 flat angles P-C4'-P energy: -35.900 tors. eta vs tors. theta energy: -19.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -461.462551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.462551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.462551 (E_RNA) where: Base-Base interactions energy: -220.004 where: short stacking energy: -124.380 Base-Backbone interact. energy: -1.475 local terms energy: -239.983870 where: bonds (distance) C4'-P energy: -67.607 bonds (distance) P-C4' energy: -76.637 flat angles C4'-P-C4' energy: -61.234 flat angles P-C4'-P energy: -36.280 tors. eta vs tors. theta energy: 1.774 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: 2 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -359.638605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.638605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.638605 (E_RNA) where: Base-Base interactions energy: -142.188 where: short stacking energy: -118.011 Base-Backbone interact. energy: -0.763 local terms energy: -216.687318 where: bonds (distance) C4'-P energy: -55.379 bonds (distance) P-C4' energy: -68.867 flat angles C4'-P-C4' energy: -55.716 flat angles P-C4'-P energy: -33.809 tors. eta vs tors. theta energy: -2.917 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: 1, replica: 7 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1200.621306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.621306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.621306 (E_RNA) where: Base-Base interactions energy: -809.560 where: short stacking energy: -374.805 Base-Backbone interact. energy: -0.009 local terms energy: -391.051352 where: bonds (distance) C4'-P energy: -61.749 bonds (distance) P-C4' energy: -78.906 flat angles C4'-P-C4' energy: -83.424 flat angles P-C4'-P energy: -72.734 tors. eta vs tors. theta energy: -94.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1264.622637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.622637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.622637 (E_RNA) where: Base-Base interactions energy: -854.462 where: short stacking energy: -374.377 Base-Backbone interact. energy: 0.676 local terms energy: -410.836614 where: bonds (distance) C4'-P energy: -77.535 bonds (distance) P-C4' energy: -88.907 flat angles C4'-P-C4' energy: -90.966 flat angles P-C4'-P energy: -56.461 tors. eta vs tors. theta energy: -96.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1089.456104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.456104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.456104 (E_RNA) where: Base-Base interactions energy: -689.308 where: short stacking energy: -336.704 Base-Backbone interact. energy: -2.329 local terms energy: -397.819845 where: bonds (distance) C4'-P energy: -72.258 bonds (distance) P-C4' energy: -82.889 flat angles C4'-P-C4' energy: -87.644 flat angles P-C4'-P energy: -73.562 tors. eta vs tors. theta energy: -81.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -930.426202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.426202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.426202 (E_RNA) where: Base-Base interactions energy: -572.249 where: short stacking energy: -304.921 Base-Backbone interact. energy: -0.271 local terms energy: -357.906138 where: bonds (distance) C4'-P energy: -69.292 bonds (distance) P-C4' energy: -76.808 flat angles C4'-P-C4' energy: -87.846 flat angles P-C4'-P energy: -53.182 tors. eta vs tors. theta energy: -70.777 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: 5, replica: 6 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -909.418679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.418679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.418679 (E_RNA) where: Base-Base interactions energy: -560.828 where: short stacking energy: -274.425 Base-Backbone interact. energy: -3.966 local terms energy: -344.624762 where: bonds (distance) C4'-P energy: -83.100 bonds (distance) P-C4' energy: -75.084 flat angles C4'-P-C4' energy: -77.019 flat angles P-C4'-P energy: -49.737 tors. eta vs tors. theta energy: -59.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -914.000481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.000481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.000481 (E_RNA) where: Base-Base interactions energy: -573.480 where: short stacking energy: -271.131 Base-Backbone interact. energy: 0.361 local terms energy: -340.881040 where: bonds (distance) C4'-P energy: -74.144 bonds (distance) P-C4' energy: -72.104 flat angles C4'-P-C4' energy: -80.327 flat angles P-C4'-P energy: -50.846 tors. eta vs tors. theta energy: -63.460 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: 5 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -705.209629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.209629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.209629 (E_RNA) where: Base-Base interactions energy: -419.853 where: short stacking energy: -213.665 Base-Backbone interact. energy: -1.004 local terms energy: -284.353154 where: bonds (distance) C4'-P energy: -67.134 bonds (distance) P-C4' energy: -80.172 flat angles C4'-P-C4' energy: -74.280 flat angles P-C4'-P energy: -30.171 tors. eta vs tors. theta energy: -32.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -493.989217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.989217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.989217 (E_RNA) where: Base-Base interactions energy: -232.079 where: short stacking energy: -155.695 Base-Backbone interact. energy: 4.291 local terms energy: -266.200714 where: bonds (distance) C4'-P energy: -83.458 bonds (distance) P-C4' energy: -83.522 flat angles C4'-P-C4' energy: -62.694 flat angles P-C4'-P energy: -40.874 tors. eta vs tors. theta energy: 4.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -476.987864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.987864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.987864 (E_RNA) where: Base-Base interactions energy: -232.308 where: short stacking energy: -137.893 Base-Backbone interact. energy: 10.077 local terms energy: -254.757399 where: bonds (distance) C4'-P energy: -66.326 bonds (distance) P-C4' energy: -73.243 flat angles C4'-P-C4' energy: -59.407 flat angles P-C4'-P energy: -52.308 tors. eta vs tors. theta energy: -3.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -355.512562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.512562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.512562 (E_RNA) where: Base-Base interactions energy: -108.289 where: short stacking energy: -96.162 Base-Backbone interact. energy: -0.589 local terms energy: -246.634273 where: bonds (distance) C4'-P energy: -73.970 bonds (distance) P-C4' energy: -75.136 flat angles C4'-P-C4' energy: -68.285 flat angles P-C4'-P energy: -40.957 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: 7 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1184.065638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.065638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.065638 (E_RNA) where: Base-Base interactions energy: -775.689 where: short stacking energy: -333.352 Base-Backbone interact. energy: 0.017 local terms energy: -408.393657 where: bonds (distance) C4'-P energy: -95.542 bonds (distance) P-C4' energy: -87.344 flat angles C4'-P-C4' energy: -97.781 flat angles P-C4'-P energy: -53.279 tors. eta vs tors. theta energy: -74.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1262.405013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.405013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.405013 (E_RNA) where: Base-Base interactions energy: -870.951 where: short stacking energy: -376.752 Base-Backbone interact. energy: -1.571 local terms energy: -389.883082 where: bonds (distance) C4'-P energy: -83.031 bonds (distance) P-C4' energy: -86.486 flat angles C4'-P-C4' energy: -76.635 flat angles P-C4'-P energy: -52.814 tors. eta vs tors. theta energy: -90.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1082.806087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.806087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.806087 (E_RNA) where: Base-Base interactions energy: -678.428 where: short stacking energy: -350.508 Base-Backbone interact. energy: -0.841 local terms energy: -403.537446 where: bonds (distance) C4'-P energy: -80.214 bonds (distance) P-C4' energy: -86.866 flat angles C4'-P-C4' energy: -87.295 flat angles P-C4'-P energy: -58.100 tors. eta vs tors. theta energy: -91.063 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: 3 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -927.858108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.858108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.858108 (E_RNA) where: Base-Base interactions energy: -574.758 where: short stacking energy: -286.448 Base-Backbone interact. energy: -3.360 local terms energy: -349.740875 where: bonds (distance) C4'-P energy: -75.632 bonds (distance) P-C4' energy: -81.494 flat angles C4'-P-C4' energy: -84.566 flat angles P-C4'-P energy: -41.657 tors. eta vs tors. theta energy: -66.392 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: 6 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -963.500196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.500196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.500196 (E_RNA) where: Base-Base interactions energy: -623.054 where: short stacking energy: -317.458 Base-Backbone interact. energy: -1.678 local terms energy: -338.768519 where: bonds (distance) C4'-P energy: -69.852 bonds (distance) P-C4' energy: -75.976 flat angles C4'-P-C4' energy: -69.650 flat angles P-C4'-P energy: -56.914 tors. eta vs tors. theta energy: -66.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -926.626212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.626212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.626212 (E_RNA) where: Base-Base interactions energy: -603.184 where: short stacking energy: -288.360 Base-Backbone interact. energy: -1.830 local terms energy: -321.611531 where: bonds (distance) C4'-P energy: -61.572 bonds (distance) P-C4' energy: -69.770 flat angles C4'-P-C4' energy: -80.935 flat angles P-C4'-P energy: -43.555 tors. eta vs tors. theta energy: -65.779 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: 5 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -666.264725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.264725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.264725 (E_RNA) where: Base-Base interactions energy: -362.505 where: short stacking energy: -217.935 Base-Backbone interact. energy: -0.775 local terms energy: -302.985141 where: bonds (distance) C4'-P energy: -60.126 bonds (distance) P-C4' energy: -64.499 flat angles C4'-P-C4' energy: -80.065 flat angles P-C4'-P energy: -55.214 tors. eta vs tors. theta energy: -43.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -504.017420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.017420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.017420 (E_RNA) where: Base-Base interactions energy: -275.276 where: short stacking energy: -178.334 Base-Backbone interact. energy: 6.163 local terms energy: -234.904180 where: bonds (distance) C4'-P energy: -71.031 bonds (distance) P-C4' energy: -58.346 flat angles C4'-P-C4' energy: -56.052 flat angles P-C4'-P energy: -46.070 tors. eta vs tors. theta energy: -3.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -502.482083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.482083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.482083 (E_RNA) where: Base-Base interactions energy: -253.925 where: short stacking energy: -169.684 Base-Backbone interact. energy: 0.270 local terms energy: -248.827208 where: bonds (distance) C4'-P energy: -64.760 bonds (distance) P-C4' energy: -62.345 flat angles C4'-P-C4' energy: -74.948 flat angles P-C4'-P energy: -39.291 tors. eta vs tors. theta energy: -7.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -363.209395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.209395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.209395 (E_RNA) where: Base-Base interactions energy: -136.008 where: short stacking energy: -106.012 Base-Backbone interact. energy: 4.358 local terms energy: -231.559269 where: bonds (distance) C4'-P energy: -73.256 bonds (distance) P-C4' energy: -75.257 flat angles C4'-P-C4' energy: -55.559 flat angles P-C4'-P energy: -43.623 tors. eta vs tors. theta energy: 16.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1322.008274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.008274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.008274 (E_RNA) where: Base-Base interactions energy: -903.339 where: short stacking energy: -417.504 Base-Backbone interact. energy: -0.676 local terms energy: -417.993131 where: bonds (distance) C4'-P energy: -83.317 bonds (distance) P-C4' energy: -76.302 flat angles C4'-P-C4' energy: -94.430 flat angles P-C4'-P energy: -58.969 tors. eta vs tors. theta energy: -104.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1219.666334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.666334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.666334 (E_RNA) where: Base-Base interactions energy: -837.176 where: short stacking energy: -350.380 Base-Backbone interact. energy: -2.040 local terms energy: -380.450527 where: bonds (distance) C4'-P energy: -74.177 bonds (distance) P-C4' energy: -85.552 flat angles C4'-P-C4' energy: -87.371 flat angles P-C4'-P energy: -56.811 tors. eta vs tors. theta energy: -76.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1089.654298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.654298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.654298 (E_RNA) where: Base-Base interactions energy: -680.796 where: short stacking energy: -367.868 Base-Backbone interact. energy: -2.385 local terms energy: -406.473993 where: bonds (distance) C4'-P energy: -84.243 bonds (distance) P-C4' energy: -76.592 flat angles C4'-P-C4' energy: -87.168 flat angles P-C4'-P energy: -57.492 tors. eta vs tors. theta energy: -100.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -911.053733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.053733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.053733 (E_RNA) where: Base-Base interactions energy: -532.667 where: short stacking energy: -290.741 Base-Backbone interact. energy: -1.943 local terms energy: -376.443466 where: bonds (distance) C4'-P energy: -79.482 bonds (distance) P-C4' energy: -84.145 flat angles C4'-P-C4' energy: -94.800 flat angles P-C4'-P energy: -60.438 tors. eta vs tors. theta energy: -57.579 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: 5, replica: 6 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -959.780530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.780530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.780530 (E_RNA) where: Base-Base interactions energy: -612.208 where: short stacking energy: -282.237 Base-Backbone interact. energy: -3.006 local terms energy: -344.566330 where: bonds (distance) C4'-P energy: -79.051 bonds (distance) P-C4' energy: -81.156 flat angles C4'-P-C4' energy: -82.968 flat angles P-C4'-P energy: -41.444 tors. eta vs tors. theta energy: -59.946 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: 1 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -928.731986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.731986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.731986 (E_RNA) where: Base-Base interactions energy: -599.448 where: short stacking energy: -286.132 Base-Backbone interact. energy: -1.605 local terms energy: -327.678199 where: bonds (distance) C4'-P energy: -65.900 bonds (distance) P-C4' energy: -79.715 flat angles C4'-P-C4' energy: -68.501 flat angles P-C4'-P energy: -43.516 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: 5 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -675.259034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.259034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.259034 (E_RNA) where: Base-Base interactions energy: -399.673 where: short stacking energy: -210.990 Base-Backbone interact. energy: 1.428 local terms energy: -277.014749 where: bonds (distance) C4'-P energy: -61.889 bonds (distance) P-C4' energy: -74.656 flat angles C4'-P-C4' energy: -67.375 flat angles P-C4'-P energy: -49.413 tors. eta vs tors. theta energy: -23.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -484.315016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.315016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.315016 (E_RNA) where: Base-Base interactions energy: -250.210 where: short stacking energy: -152.184 Base-Backbone interact. energy: -1.105 local terms energy: -233.000692 where: bonds (distance) C4'-P energy: -62.501 bonds (distance) P-C4' energy: -59.438 flat angles C4'-P-C4' energy: -57.098 flat angles P-C4'-P energy: -51.395 tors. eta vs tors. theta energy: -2.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -455.900463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.900463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.900463 (E_RNA) where: Base-Base interactions energy: -218.570 where: short stacking energy: -153.136 Base-Backbone interact. energy: -1.421 local terms energy: -235.908642 where: bonds (distance) C4'-P energy: -58.845 bonds (distance) P-C4' energy: -77.341 flat angles C4'-P-C4' energy: -53.942 flat angles P-C4'-P energy: -42.747 tors. eta vs tors. theta energy: -3.033 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: 2 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -342.295111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.295111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.295111 (E_RNA) where: Base-Base interactions energy: -156.081 where: short stacking energy: -111.331 Base-Backbone interact. energy: 5.253 local terms energy: -191.467907 where: bonds (distance) C4'-P energy: -52.658 bonds (distance) P-C4' energy: -62.933 flat angles C4'-P-C4' energy: -56.835 flat angles P-C4'-P energy: -35.650 tors. eta vs tors. theta energy: 16.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1330.775047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.775047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.775047 (E_RNA) where: Base-Base interactions energy: -889.422 where: short stacking energy: -421.366 Base-Backbone interact. energy: -1.922 local terms energy: -439.430798 where: bonds (distance) C4'-P energy: -79.617 bonds (distance) P-C4' energy: -81.772 flat angles C4'-P-C4' energy: -101.518 flat angles P-C4'-P energy: -62.480 tors. eta vs tors. theta energy: -114.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1237.759906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.759906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.759906 (E_RNA) where: Base-Base interactions energy: -849.469 where: short stacking energy: -385.216 Base-Backbone interact. energy: -2.309 local terms energy: -385.981961 where: bonds (distance) C4'-P energy: -65.788 bonds (distance) P-C4' energy: -81.536 flat angles C4'-P-C4' energy: -84.166 flat angles P-C4'-P energy: -61.973 tors. eta vs tors. theta energy: -92.518 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: 3, replica: 10 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1057.717426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.717426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.717426 (E_RNA) where: Base-Base interactions energy: -667.658 where: short stacking energy: -350.269 Base-Backbone interact. energy: 0.302 local terms energy: -390.361262 where: bonds (distance) C4'-P energy: -82.230 bonds (distance) P-C4' energy: -75.569 flat angles C4'-P-C4' energy: -93.913 flat angles P-C4'-P energy: -51.456 tors. eta vs tors. theta energy: -87.193 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: 6 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1020.536439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.536439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.536439 (E_RNA) where: Base-Base interactions energy: -654.057 where: short stacking energy: -300.575 Base-Backbone interact. energy: -0.623 local terms energy: -365.855954 where: bonds (distance) C4'-P energy: -85.618 bonds (distance) P-C4' energy: -82.073 flat angles C4'-P-C4' energy: -72.537 flat angles P-C4'-P energy: -50.754 tors. eta vs tors. theta energy: -74.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -876.685497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.685497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.685497 (E_RNA) where: Base-Base interactions energy: -545.828 where: short stacking energy: -297.281 Base-Backbone interact. energy: -0.702 local terms energy: -330.155031 where: bonds (distance) C4'-P energy: -77.532 bonds (distance) P-C4' energy: -68.520 flat angles C4'-P-C4' energy: -75.345 flat angles P-C4'-P energy: -49.961 tors. eta vs tors. theta energy: -58.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -902.633850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.633850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.633850 (E_RNA) where: Base-Base interactions energy: -550.803 where: short stacking energy: -280.647 Base-Backbone interact. energy: -1.683 local terms energy: -350.148049 where: bonds (distance) C4'-P energy: -69.773 bonds (distance) P-C4' energy: -80.036 flat angles C4'-P-C4' energy: -67.323 flat angles P-C4'-P energy: -63.568 tors. eta vs tors. theta energy: -69.447 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: 17 Temperature: 1.200000 Total energy: -718.501239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.501239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.501239 (E_RNA) where: Base-Base interactions energy: -410.503 where: short stacking energy: -241.559 Base-Backbone interact. energy: -0.204 local terms energy: -307.794237 where: bonds (distance) C4'-P energy: -50.144 bonds (distance) P-C4' energy: -71.450 flat angles C4'-P-C4' energy: -78.750 flat angles P-C4'-P energy: -49.445 tors. eta vs tors. theta energy: -58.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -523.865487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.865487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.865487 (E_RNA) where: Base-Base interactions energy: -265.955 where: short stacking energy: -189.930 Base-Backbone interact. energy: 3.183 local terms energy: -261.093419 where: bonds (distance) C4'-P energy: -65.772 bonds (distance) P-C4' energy: -69.747 flat angles C4'-P-C4' energy: -68.902 flat angles P-C4'-P energy: -41.640 tors. eta vs tors. theta energy: -15.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -462.243909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.243909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.243909 (E_RNA) where: Base-Base interactions energy: -210.550 where: short stacking energy: -162.177 Base-Backbone interact. energy: 0.221 local terms energy: -251.915270 where: bonds (distance) C4'-P energy: -67.131 bonds (distance) P-C4' energy: -61.807 flat angles C4'-P-C4' energy: -54.237 flat angles P-C4'-P energy: -42.494 tors. eta vs tors. theta energy: -26.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -376.326354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.326354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.326354 (E_RNA) where: Base-Base interactions energy: -157.983 where: short stacking energy: -116.540 Base-Backbone interact. energy: 3.802 local terms energy: -222.146016 where: bonds (distance) C4'-P energy: -68.528 bonds (distance) P-C4' energy: -67.730 flat angles C4'-P-C4' energy: -66.583 flat angles P-C4'-P energy: -34.907 tors. eta vs tors. theta energy: 15.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1375.349685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.349685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.349685 (E_RNA) where: Base-Base interactions energy: -911.242 where: short stacking energy: -427.408 Base-Backbone interact. energy: -1.183 local terms energy: -462.924639 where: bonds (distance) C4'-P energy: -91.409 bonds (distance) P-C4' energy: -95.460 flat angles C4'-P-C4' energy: -87.698 flat angles P-C4'-P energy: -72.572 tors. eta vs tors. theta energy: -115.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1253.719725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.719725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.719725 (E_RNA) where: Base-Base interactions energy: -843.484 where: short stacking energy: -361.562 Base-Backbone interact. energy: -2.938 local terms energy: -407.298292 where: bonds (distance) C4'-P energy: -86.524 bonds (distance) P-C4' energy: -82.026 flat angles C4'-P-C4' energy: -88.497 flat angles P-C4'-P energy: -57.242 tors. eta vs tors. theta energy: -93.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1114.128926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.128926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.128926 (E_RNA) where: Base-Base interactions energy: -710.880 where: short stacking energy: -324.760 Base-Backbone interact. energy: -2.428 local terms energy: -400.820778 where: bonds (distance) C4'-P energy: -84.564 bonds (distance) P-C4' energy: -81.635 flat angles C4'-P-C4' energy: -86.383 flat angles P-C4'-P energy: -62.393 tors. eta vs tors. theta energy: -85.847 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: 4, replica: 10 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1047.452472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.452472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.452472 (E_RNA) where: Base-Base interactions energy: -679.894 where: short stacking energy: -333.643 Base-Backbone interact. energy: 1.445 local terms energy: -369.003605 where: bonds (distance) C4'-P energy: -64.146 bonds (distance) P-C4' energy: -80.581 flat angles C4'-P-C4' energy: -92.382 flat angles P-C4'-P energy: -54.154 tors. eta vs tors. theta energy: -77.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -939.728212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.728212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.728212 (E_RNA) where: Base-Base interactions energy: -579.825 where: short stacking energy: -304.170 Base-Backbone interact. energy: -2.090 local terms energy: -357.813215 where: bonds (distance) C4'-P energy: -82.705 bonds (distance) P-C4' energy: -84.893 flat angles C4'-P-C4' energy: -74.141 flat angles P-C4'-P energy: -51.105 tors. eta vs tors. theta energy: -64.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -790.510597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.510597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.510597 (E_RNA) where: Base-Base interactions energy: -485.701 where: short stacking energy: -256.399 Base-Backbone interact. energy: -1.690 local terms energy: -303.119439 where: bonds (distance) C4'-P energy: -67.385 bonds (distance) P-C4' energy: -69.018 flat angles C4'-P-C4' energy: -82.582 flat angles P-C4'-P energy: -42.576 tors. eta vs tors. theta energy: -41.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -764.143349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.143349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.143349 (E_RNA) where: Base-Base interactions energy: -464.771 where: short stacking energy: -221.076 Base-Backbone interact. energy: -0.773 local terms energy: -298.600294 where: bonds (distance) C4'-P energy: -67.880 bonds (distance) P-C4' energy: -69.693 flat angles C4'-P-C4' energy: -64.301 flat angles P-C4'-P energy: -48.279 tors. eta vs tors. theta energy: -48.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -563.480976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.480976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.480976 (E_RNA) where: Base-Base interactions energy: -252.395 where: short stacking energy: -180.535 Base-Backbone interact. energy: -2.020 local terms energy: -309.066432 where: bonds (distance) C4'-P energy: -74.820 bonds (distance) P-C4' energy: -82.925 flat angles C4'-P-C4' energy: -68.512 flat angles P-C4'-P energy: -50.418 tors. eta vs tors. theta energy: -32.392 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: 9, replica: 2 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -409.244480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.244480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.244480 (E_RNA) where: Base-Base interactions energy: -167.254 where: short stacking energy: -130.974 Base-Backbone interact. energy: 1.821 local terms energy: -243.811266 where: bonds (distance) C4'-P energy: -72.990 bonds (distance) P-C4' energy: -76.384 flat angles C4'-P-C4' energy: -66.811 flat angles P-C4'-P energy: -24.591 tors. eta vs tors. theta energy: -3.035 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: 4 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -358.971468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.971468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.971468 (E_RNA) where: Base-Base interactions energy: -116.697 where: short stacking energy: -102.511 Base-Backbone interact. energy: -1.027 local terms energy: -241.247294 where: bonds (distance) C4'-P energy: -57.942 bonds (distance) P-C4' energy: -76.161 flat angles C4'-P-C4' energy: -69.082 flat angles P-C4'-P energy: -42.970 tors. eta vs tors. theta energy: 4.907 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: 1, replica: 8 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1379.900286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.900286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.900286 (E_RNA) where: Base-Base interactions energy: -952.671 where: short stacking energy: -431.170 Base-Backbone interact. energy: -1.244 local terms energy: -425.984864 where: bonds (distance) C4'-P energy: -82.309 bonds (distance) P-C4' energy: -82.575 flat angles C4'-P-C4' energy: -86.436 flat angles P-C4'-P energy: -67.836 tors. eta vs tors. theta energy: -106.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1262.147591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.147591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.147591 (E_RNA) where: Base-Base interactions energy: -834.431 where: short stacking energy: -365.211 Base-Backbone interact. energy: -3.519 local terms energy: -424.197812 where: bonds (distance) C4'-P energy: -91.386 bonds (distance) P-C4' energy: -86.412 flat angles C4'-P-C4' energy: -91.357 flat angles P-C4'-P energy: -60.900 tors. eta vs tors. theta energy: -94.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1118.928068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.928068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.928068 (E_RNA) where: Base-Base interactions energy: -730.780 where: short stacking energy: -352.112 Base-Backbone interact. energy: 0.008 local terms energy: -388.156159 where: bonds (distance) C4'-P energy: -83.473 bonds (distance) P-C4' energy: -74.812 flat angles C4'-P-C4' energy: -84.776 flat angles P-C4'-P energy: -56.655 tors. eta vs tors. theta energy: -88.441 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: 10 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1029.192173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.192173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.192173 (E_RNA) where: Base-Base interactions energy: -664.835 where: short stacking energy: -315.479 Base-Backbone interact. energy: -2.147 local terms energy: -362.209998 where: bonds (distance) C4'-P energy: -72.114 bonds (distance) P-C4' energy: -81.403 flat angles C4'-P-C4' energy: -75.097 flat angles P-C4'-P energy: -46.359 tors. eta vs tors. theta energy: -87.238 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: 1 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -979.740100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.740100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.740100 (E_RNA) where: Base-Base interactions energy: -632.963 where: short stacking energy: -303.175 Base-Backbone interact. energy: -0.086 local terms energy: -346.690861 where: bonds (distance) C4'-P energy: -64.296 bonds (distance) P-C4' energy: -75.905 flat angles C4'-P-C4' energy: -80.133 flat angles P-C4'-P energy: -56.731 tors. eta vs tors. theta energy: -69.626 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: 5 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -796.874477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.874477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.874477 (E_RNA) where: Base-Base interactions energy: -472.606 where: short stacking energy: -254.394 Base-Backbone interact. energy: -2.151 local terms energy: -322.117467 where: bonds (distance) C4'-P energy: -75.197 bonds (distance) P-C4' energy: -64.664 flat angles C4'-P-C4' energy: -85.136 flat angles P-C4'-P energy: -39.799 tors. eta vs tors. theta energy: -57.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -790.641483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.641483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.641483 (E_RNA) where: Base-Base interactions energy: -469.981 where: short stacking energy: -241.541 Base-Backbone interact. energy: -2.018 local terms energy: -318.642492 where: bonds (distance) C4'-P energy: -64.108 bonds (distance) P-C4' energy: -77.762 flat angles C4'-P-C4' energy: -77.527 flat angles P-C4'-P energy: -49.631 tors. eta vs tors. theta energy: -49.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -471.759535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.759535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.759535 (E_RNA) where: Base-Base interactions energy: -222.142 where: short stacking energy: -162.921 Base-Backbone interact. energy: -0.089 local terms energy: -249.529091 where: bonds (distance) C4'-P energy: -71.224 bonds (distance) P-C4' energy: -57.204 flat angles C4'-P-C4' energy: -66.747 flat angles P-C4'-P energy: -36.534 tors. eta vs tors. theta energy: -17.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -411.646987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.646987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.646987 (E_RNA) where: Base-Base interactions energy: -178.451 where: short stacking energy: -137.836 Base-Backbone interact. energy: -1.327 local terms energy: -231.869132 where: bonds (distance) C4'-P energy: -68.047 bonds (distance) P-C4' energy: -74.698 flat angles C4'-P-C4' energy: -55.275 flat angles P-C4'-P energy: -34.205 tors. eta vs tors. theta energy: 0.356 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: 10, replica: 4 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -407.353685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.353685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.353685 (E_RNA) where: Base-Base interactions energy: -190.871 where: short stacking energy: -119.067 Base-Backbone interact. energy: 0.829 local terms energy: -217.310951 where: bonds (distance) C4'-P energy: -55.490 bonds (distance) P-C4' energy: -66.345 flat angles C4'-P-C4' energy: -51.378 flat angles P-C4'-P energy: -33.717 tors. eta vs tors. theta energy: -10.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1374.046465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.046465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.046465 (E_RNA) where: Base-Base interactions energy: -941.784 where: short stacking energy: -424.071 Base-Backbone interact. energy: -0.211 local terms energy: -432.051794 where: bonds (distance) C4'-P energy: -83.625 bonds (distance) P-C4' energy: -75.660 flat angles C4'-P-C4' energy: -92.495 flat angles P-C4'-P energy: -64.630 tors. eta vs tors. theta energy: -115.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1268.687218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.687218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.687218 (E_RNA) where: Base-Base interactions energy: -877.480 where: short stacking energy: -371.838 Base-Backbone interact. energy: -2.048 local terms energy: -389.159547 where: bonds (distance) C4'-P energy: -82.964 bonds (distance) P-C4' energy: -79.273 flat angles C4'-P-C4' energy: -86.628 flat angles P-C4'-P energy: -53.423 tors. eta vs tors. theta energy: -86.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1140.334371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.334371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.334371 (E_RNA) where: Base-Base interactions energy: -744.114 where: short stacking energy: -351.051 Base-Backbone interact. energy: -1.768 local terms energy: -394.453243 where: bonds (distance) C4'-P energy: -87.740 bonds (distance) P-C4' energy: -81.694 flat angles C4'-P-C4' energy: -88.793 flat angles P-C4'-P energy: -46.946 tors. eta vs tors. theta energy: -89.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1036.969157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.969157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.969157 (E_RNA) where: Base-Base interactions energy: -659.041 where: short stacking energy: -328.362 Base-Backbone interact. energy: -2.043 local terms energy: -375.884963 where: bonds (distance) C4'-P energy: -79.335 bonds (distance) P-C4' energy: -85.014 flat angles C4'-P-C4' energy: -89.209 flat angles P-C4'-P energy: -40.115 tors. eta vs tors. theta energy: -82.212 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: 1 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1004.099711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.099711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.099711 (E_RNA) where: Base-Base interactions energy: -640.945 where: short stacking energy: -340.907 Base-Backbone interact. energy: -0.637 local terms energy: -362.517215 where: bonds (distance) C4'-P energy: -68.855 bonds (distance) P-C4' energy: -60.992 flat angles C4'-P-C4' energy: -89.765 flat angles P-C4'-P energy: -51.085 tors. eta vs tors. theta energy: -91.821 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: 5 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -777.504904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.504904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.504904 (E_RNA) where: Base-Base interactions energy: -434.538 where: short stacking energy: -241.850 Base-Backbone interact. energy: -0.075 local terms energy: -342.891193 where: bonds (distance) C4'-P energy: -69.748 bonds (distance) P-C4' energy: -75.107 flat angles C4'-P-C4' energy: -82.311 flat angles P-C4'-P energy: -57.312 tors. eta vs tors. theta energy: -58.413 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: 7, replica: 3 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -784.201814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.201814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.201814 (E_RNA) where: Base-Base interactions energy: -468.529 where: short stacking energy: -244.054 Base-Backbone interact. energy: -1.667 local terms energy: -314.005921 where: bonds (distance) C4'-P energy: -79.632 bonds (distance) P-C4' energy: -80.896 flat angles C4'-P-C4' energy: -63.116 flat angles P-C4'-P energy: -41.483 tors. eta vs tors. theta energy: -48.878 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: 9 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -559.786848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.786848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.786848 (E_RNA) where: Base-Base interactions energy: -308.145 where: short stacking energy: -199.545 Base-Backbone interact. energy: -1.606 local terms energy: -250.035369 where: bonds (distance) C4'-P energy: -57.257 bonds (distance) P-C4' energy: -68.619 flat angles C4'-P-C4' energy: -52.376 flat angles P-C4'-P energy: -53.283 tors. eta vs tors. theta energy: -18.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -435.708877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.708877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.708877 (E_RNA) where: Base-Base interactions energy: -180.779 where: short stacking energy: -136.658 Base-Backbone interact. energy: -0.903 local terms energy: -254.026610 where: bonds (distance) C4'-P energy: -76.608 bonds (distance) P-C4' energy: -72.924 flat angles C4'-P-C4' energy: -62.479 flat angles P-C4'-P energy: -37.011 tors. eta vs tors. theta energy: -5.005 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: 2 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -448.050178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.050178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.050178 (E_RNA) where: Base-Base interactions energy: -200.487 where: short stacking energy: -125.304 Base-Backbone interact. energy: -1.670 local terms energy: -245.893023 where: bonds (distance) C4'-P energy: -76.957 bonds (distance) P-C4' energy: -79.790 flat angles C4'-P-C4' energy: -61.939 flat angles P-C4'-P energy: -29.031 tors. eta vs tors. theta energy: 1.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1363.113824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.113824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.113824 (E_RNA) where: Base-Base interactions energy: -945.529 where: short stacking energy: -421.555 Base-Backbone interact. energy: -0.938 local terms energy: -416.646711 where: bonds (distance) C4'-P energy: -77.575 bonds (distance) P-C4' energy: -76.256 flat angles C4'-P-C4' energy: -91.905 flat angles P-C4'-P energy: -59.715 tors. eta vs tors. theta energy: -111.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1271.849382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.849382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.849382 (E_RNA) where: Base-Base interactions energy: -869.378 where: short stacking energy: -352.632 Base-Backbone interact. energy: -2.751 local terms energy: -399.720217 where: bonds (distance) C4'-P energy: -71.821 bonds (distance) P-C4' energy: -79.354 flat angles C4'-P-C4' energy: -94.795 flat angles P-C4'-P energy: -59.785 tors. eta vs tors. theta energy: -93.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1117.224575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.224575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.224575 (E_RNA) where: Base-Base interactions energy: -725.275 where: short stacking energy: -353.388 Base-Backbone interact. energy: 0.015 local terms energy: -391.964248 where: bonds (distance) C4'-P energy: -78.973 bonds (distance) P-C4' energy: -86.438 flat angles C4'-P-C4' energy: -88.566 flat angles P-C4'-P energy: -62.234 tors. eta vs tors. theta energy: -75.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1062.809451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.809451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.809451 (E_RNA) where: Base-Base interactions energy: -677.206 where: short stacking energy: -329.048 Base-Backbone interact. energy: -1.444 local terms energy: -384.159771 where: bonds (distance) C4'-P energy: -76.522 bonds (distance) P-C4' energy: -81.328 flat angles C4'-P-C4' energy: -85.388 flat angles P-C4'-P energy: -54.969 tors. eta vs tors. theta energy: -85.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -975.432158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.432158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.432158 (E_RNA) where: Base-Base interactions energy: -651.270 where: short stacking energy: -308.150 Base-Backbone interact. energy: 1.541 local terms energy: -325.703277 where: bonds (distance) C4'-P energy: -57.497 bonds (distance) P-C4' energy: -70.376 flat angles C4'-P-C4' energy: -77.423 flat angles P-C4'-P energy: -59.312 tors. eta vs tors. theta energy: -61.095 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: 5 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -745.056441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.056441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.056441 (E_RNA) where: Base-Base interactions energy: -410.567 where: short stacking energy: -247.386 Base-Backbone interact. energy: -0.128 local terms energy: -334.361596 where: bonds (distance) C4'-P energy: -76.029 bonds (distance) P-C4' energy: -66.291 flat angles C4'-P-C4' energy: -86.899 flat angles P-C4'-P energy: -53.068 tors. eta vs tors. theta energy: -52.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -735.224799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.224799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.224799 (E_RNA) where: Base-Base interactions energy: -431.408 where: short stacking energy: -218.969 Base-Backbone interact. energy: -0.960 local terms energy: -302.857023 where: bonds (distance) C4'-P energy: -71.228 bonds (distance) P-C4' energy: -69.616 flat angles C4'-P-C4' energy: -71.292 flat angles P-C4'-P energy: -50.972 tors. eta vs tors. theta energy: -39.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -487.688855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.688855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.688855 (E_RNA) where: Base-Base interactions energy: -236.456 where: short stacking energy: -172.839 Base-Backbone interact. energy: 1.230 local terms energy: -252.462465 where: bonds (distance) C4'-P energy: -65.369 bonds (distance) P-C4' energy: -80.304 flat angles C4'-P-C4' energy: -61.668 flat angles P-C4'-P energy: -40.764 tors. eta vs tors. theta energy: -4.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -473.002358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.002358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.002358 (E_RNA) where: Base-Base interactions energy: -223.442 where: short stacking energy: -140.508 Base-Backbone interact. energy: -1.625 local terms energy: -247.935196 where: bonds (distance) C4'-P energy: -66.404 bonds (distance) P-C4' energy: -84.994 flat angles C4'-P-C4' energy: -64.192 flat angles P-C4'-P energy: -28.565 tors. eta vs tors. theta energy: -3.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -470.367832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.367832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.367832 (E_RNA) where: Base-Base interactions energy: -252.753 where: short stacking energy: -137.776 Base-Backbone interact. energy: 0.669 local terms energy: -218.284155 where: bonds (distance) C4'-P energy: -65.611 bonds (distance) P-C4' energy: -66.900 flat angles C4'-P-C4' energy: -72.237 flat angles P-C4'-P energy: -14.437 tors. eta vs tors. theta energy: 0.900 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: 1, replica: 8 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1356.776895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.776895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.776895 (E_RNA) where: Base-Base interactions energy: -930.963 where: short stacking energy: -407.807 Base-Backbone interact. energy: -0.402 local terms energy: -425.411689 where: bonds (distance) C4'-P energy: -81.687 bonds (distance) P-C4' energy: -79.832 flat angles C4'-P-C4' energy: -90.351 flat angles P-C4'-P energy: -69.856 tors. eta vs tors. theta energy: -103.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1262.975581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.975581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.975581 (E_RNA) where: Base-Base interactions energy: -872.748 where: short stacking energy: -362.822 Base-Backbone interact. energy: -4.187 local terms energy: -386.041196 where: bonds (distance) C4'-P energy: -81.187 bonds (distance) P-C4' energy: -73.997 flat angles C4'-P-C4' energy: -87.024 flat angles P-C4'-P energy: -62.756 tors. eta vs tors. theta energy: -81.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1176.435756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.435756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.435756 (E_RNA) where: Base-Base interactions energy: -797.119 where: short stacking energy: -374.116 Base-Backbone interact. energy: -0.716 local terms energy: -378.600483 where: bonds (distance) C4'-P energy: -79.949 bonds (distance) P-C4' energy: -84.367 flat angles C4'-P-C4' energy: -82.160 flat angles P-C4'-P energy: -42.514 tors. eta vs tors. theta energy: -89.610 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: 4, replica: 10 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1078.807169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.807169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.807169 (E_RNA) where: Base-Base interactions energy: -679.009 where: short stacking energy: -335.204 Base-Backbone interact. energy: -1.117 local terms energy: -398.681168 where: bonds (distance) C4'-P energy: -85.947 bonds (distance) P-C4' energy: -83.192 flat angles C4'-P-C4' energy: -88.642 flat angles P-C4'-P energy: -54.760 tors. eta vs tors. theta energy: -86.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -989.876648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.876648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.876648 (E_RNA) where: Base-Base interactions energy: -638.982 where: short stacking energy: -317.924 Base-Backbone interact. energy: 2.188 local terms energy: -353.083224 where: bonds (distance) C4'-P energy: -77.735 bonds (distance) P-C4' energy: -74.005 flat angles C4'-P-C4' energy: -74.476 flat angles P-C4'-P energy: -49.267 tors. eta vs tors. theta energy: -77.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -778.205719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.205719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.205719 (E_RNA) where: Base-Base interactions energy: -449.587 where: short stacking energy: -254.754 Base-Backbone interact. energy: -0.730 local terms energy: -327.889086 where: bonds (distance) C4'-P energy: -76.827 bonds (distance) P-C4' energy: -73.142 flat angles C4'-P-C4' energy: -81.568 flat angles P-C4'-P energy: -43.449 tors. eta vs tors. theta energy: -52.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -726.899017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.899017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.899017 (E_RNA) where: Base-Base interactions energy: -447.710 where: short stacking energy: -233.948 Base-Backbone interact. energy: -1.685 local terms energy: -277.504265 where: bonds (distance) C4'-P energy: -64.107 bonds (distance) P-C4' energy: -71.245 flat angles C4'-P-C4' energy: -65.230 flat angles P-C4'-P energy: -48.052 tors. eta vs tors. theta energy: -28.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -508.141381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.141381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.141381 (E_RNA) where: Base-Base interactions energy: -265.124 where: short stacking energy: -166.485 Base-Backbone interact. energy: -2.061 local terms energy: -240.956653 where: bonds (distance) C4'-P energy: -68.048 bonds (distance) P-C4' energy: -75.347 flat angles C4'-P-C4' energy: -62.374 flat angles P-C4'-P energy: -36.309 tors. eta vs tors. theta energy: 1.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -592.309080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.309080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.309080 (E_RNA) where: Base-Base interactions energy: -333.408 where: short stacking energy: -173.522 Base-Backbone interact. energy: 5.912 local terms energy: -264.813635 where: bonds (distance) C4'-P energy: -54.740 bonds (distance) P-C4' energy: -71.034 flat angles C4'-P-C4' energy: -76.017 flat angles P-C4'-P energy: -52.013 tors. eta vs tors. theta energy: -11.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -465.116443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.116443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.116443 (E_RNA) where: Base-Base interactions energy: -234.377 where: short stacking energy: -128.832 Base-Backbone interact. energy: 4.695 local terms energy: -235.434262 where: bonds (distance) C4'-P energy: -65.647 bonds (distance) P-C4' energy: -69.723 flat angles C4'-P-C4' energy: -61.947 flat angles P-C4'-P energy: -39.001 tors. eta vs tors. theta energy: 0.883 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: 8 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1345.877056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.877056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.877056 (E_RNA) where: Base-Base interactions energy: -891.913 where: short stacking energy: -414.302 Base-Backbone interact. energy: 0.623 local terms energy: -454.587546 where: bonds (distance) C4'-P energy: -93.029 bonds (distance) P-C4' energy: -92.607 flat angles C4'-P-C4' energy: -97.332 flat angles P-C4'-P energy: -54.930 tors. eta vs tors. theta energy: -116.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1278.709958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.709958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.709958 (E_RNA) where: Base-Base interactions energy: -884.858 where: short stacking energy: -390.951 Base-Backbone interact. energy: -0.351 local terms energy: -393.500599 where: bonds (distance) C4'-P energy: -82.855 bonds (distance) P-C4' energy: -84.820 flat angles C4'-P-C4' energy: -92.570 flat angles P-C4'-P energy: -41.262 tors. eta vs tors. theta energy: -91.993 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: 3, replica: 6 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1208.258054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.258054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.258054 (E_RNA) where: Base-Base interactions energy: -813.674 where: short stacking energy: -384.606 Base-Backbone interact. energy: -1.105 local terms energy: -393.478712 where: bonds (distance) C4'-P energy: -74.469 bonds (distance) P-C4' energy: -79.606 flat angles C4'-P-C4' energy: -83.206 flat angles P-C4'-P energy: -54.010 tors. eta vs tors. theta energy: -102.188 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: 10 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1109.155601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.155601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.155601 (E_RNA) where: Base-Base interactions energy: -717.931 where: short stacking energy: -361.429 Base-Backbone interact. energy: 0.406 local terms energy: -391.630944 where: bonds (distance) C4'-P energy: -77.998 bonds (distance) P-C4' energy: -81.049 flat angles C4'-P-C4' energy: -74.295 flat angles P-C4'-P energy: -60.958 tors. eta vs tors. theta energy: -97.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -973.342587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.342587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.342587 (E_RNA) where: Base-Base interactions energy: -643.082 where: short stacking energy: -311.010 Base-Backbone interact. energy: 0.866 local terms energy: -331.126008 where: bonds (distance) C4'-P energy: -66.926 bonds (distance) P-C4' energy: -76.600 flat angles C4'-P-C4' energy: -67.691 flat angles P-C4'-P energy: -47.908 tors. eta vs tors. theta energy: -72.002 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: 3 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -786.085626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.085626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.085626 (E_RNA) where: Base-Base interactions energy: -450.028 where: short stacking energy: -249.494 Base-Backbone interact. energy: -0.510 local terms energy: -335.547395 where: bonds (distance) C4'-P energy: -78.207 bonds (distance) P-C4' energy: -71.393 flat angles C4'-P-C4' energy: -77.049 flat angles P-C4'-P energy: -47.768 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: 7, replica: 5 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -794.878020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.878020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.878020 (E_RNA) where: Base-Base interactions energy: -451.275 where: short stacking energy: -250.245 Base-Backbone interact. energy: -3.336 local terms energy: -340.267498 where: bonds (distance) C4'-P energy: -77.834 bonds (distance) P-C4' energy: -72.740 flat angles C4'-P-C4' energy: -79.109 flat angles P-C4'-P energy: -51.953 tors. eta vs tors. theta energy: -58.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -646.893734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.893734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.893734 (E_RNA) where: Base-Base interactions energy: -373.496 where: short stacking energy: -189.836 Base-Backbone interact. energy: 1.001 local terms energy: -274.399169 where: bonds (distance) C4'-P energy: -64.075 bonds (distance) P-C4' energy: -66.214 flat angles C4'-P-C4' energy: -77.336 flat angles P-C4'-P energy: -33.659 tors. eta vs tors. theta energy: -33.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -541.143245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.143245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.143245 (E_RNA) where: Base-Base interactions energy: -288.079 where: short stacking energy: -155.456 Base-Backbone interact. energy: -2.310 local terms energy: -250.754374 where: bonds (distance) C4'-P energy: -57.003 bonds (distance) P-C4' energy: -63.180 flat angles C4'-P-C4' energy: -68.736 flat angles P-C4'-P energy: -55.966 tors. eta vs tors. theta energy: -5.869 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: 4 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -475.378686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.378686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.378686 (E_RNA) where: Base-Base interactions energy: -235.852 where: short stacking energy: -165.079 Base-Backbone interact. energy: 3.261 local terms energy: -242.788424 where: bonds (distance) C4'-P energy: -57.468 bonds (distance) P-C4' energy: -61.901 flat angles C4'-P-C4' energy: -78.733 flat angles P-C4'-P energy: -38.575 tors. eta vs tors. theta energy: -6.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1397.482665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.482665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.482665 (E_RNA) where: Base-Base interactions energy: -944.874 where: short stacking energy: -415.212 Base-Backbone interact. energy: -1.228 local terms energy: -451.380968 where: bonds (distance) C4'-P energy: -86.712 bonds (distance) P-C4' energy: -89.698 flat angles C4'-P-C4' energy: -97.474 flat angles P-C4'-P energy: -65.169 tors. eta vs tors. theta energy: -112.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1226.129342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.129342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.129342 (E_RNA) where: Base-Base interactions energy: -847.486 where: short stacking energy: -355.307 Base-Backbone interact. energy: 0.189 local terms energy: -378.832852 where: bonds (distance) C4'-P energy: -77.697 bonds (distance) P-C4' energy: -84.008 flat angles C4'-P-C4' energy: -83.570 flat angles P-C4'-P energy: -55.107 tors. eta vs tors. theta energy: -78.451 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: 3, replica: 6 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1208.337680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.337680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.337680 (E_RNA) where: Base-Base interactions energy: -817.017 where: short stacking energy: -368.691 Base-Backbone interact. energy: -1.894 local terms energy: -389.426699 where: bonds (distance) C4'-P energy: -73.845 bonds (distance) P-C4' energy: -85.798 flat angles C4'-P-C4' energy: -84.608 flat angles P-C4'-P energy: -60.325 tors. eta vs tors. theta energy: -84.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1098.348391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.348391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.348391 (E_RNA) where: Base-Base interactions energy: -721.354 where: short stacking energy: -352.094 Base-Backbone interact. energy: -0.518 local terms energy: -376.476552 where: bonds (distance) C4'-P energy: -65.740 bonds (distance) P-C4' energy: -87.404 flat angles C4'-P-C4' energy: -77.346 flat angles P-C4'-P energy: -56.638 tors. eta vs tors. theta energy: -89.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1016.464830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.464830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.464830 (E_RNA) where: Base-Base interactions energy: -666.021 where: short stacking energy: -314.991 Base-Backbone interact. energy: -0.153 local terms energy: -350.290449 where: bonds (distance) C4'-P energy: -74.869 bonds (distance) P-C4' energy: -77.159 flat angles C4'-P-C4' energy: -79.755 flat angles P-C4'-P energy: -45.574 tors. eta vs tors. theta energy: -72.934 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: 24 Temperature: 1.150000 Total energy: -771.790227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.790227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.790227 (E_RNA) where: Base-Base interactions energy: -457.058 where: short stacking energy: -241.402 Base-Backbone interact. energy: -1.835 local terms energy: -312.897144 where: bonds (distance) C4'-P energy: -74.541 bonds (distance) P-C4' energy: -76.553 flat angles C4'-P-C4' energy: -74.628 flat angles P-C4'-P energy: -46.836 tors. eta vs tors. theta energy: -40.339 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: 5 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -813.922044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.922044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.922044 (E_RNA) where: Base-Base interactions energy: -490.705 where: short stacking energy: -246.505 Base-Backbone interact. energy: -1.023 local terms energy: -322.194235 where: bonds (distance) C4'-P energy: -66.628 bonds (distance) P-C4' energy: -84.805 flat angles C4'-P-C4' energy: -68.313 flat angles P-C4'-P energy: -49.108 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: 8, replica: 2 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -610.758481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.758481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.758481 (E_RNA) where: Base-Base interactions energy: -368.559 where: short stacking energy: -207.918 Base-Backbone interact. energy: -0.145 local terms energy: -242.055085 where: bonds (distance) C4'-P energy: -55.687 bonds (distance) P-C4' energy: -72.793 flat angles C4'-P-C4' energy: -55.943 flat angles P-C4'-P energy: -36.561 tors. eta vs tors. theta energy: -21.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -582.002896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.002896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.002896 (E_RNA) where: Base-Base interactions energy: -300.633 where: short stacking energy: -160.514 Base-Backbone interact. energy: -2.398 local terms energy: -278.971176 where: bonds (distance) C4'-P energy: -62.765 bonds (distance) P-C4' energy: -79.288 flat angles C4'-P-C4' energy: -74.368 flat angles P-C4'-P energy: -46.668 tors. eta vs tors. theta energy: -15.883 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: 10, replica: 4 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -551.753843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.753843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.753843 (E_RNA) where: Base-Base interactions energy: -314.799 where: short stacking energy: -181.317 Base-Backbone interact. energy: 3.538 local terms energy: -240.492788 where: bonds (distance) C4'-P energy: -59.352 bonds (distance) P-C4' energy: -64.504 flat angles C4'-P-C4' energy: -62.390 flat angles P-C4'-P energy: -41.477 tors. eta vs tors. theta energy: -12.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1409.833128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.833128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.833128 (E_RNA) where: Base-Base interactions energy: -964.041 where: short stacking energy: -412.342 Base-Backbone interact. energy: -1.405 local terms energy: -444.386666 where: bonds (distance) C4'-P energy: -88.840 bonds (distance) P-C4' energy: -85.929 flat angles C4'-P-C4' energy: -90.692 flat angles P-C4'-P energy: -65.160 tors. eta vs tors. theta energy: -113.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1254.529436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.529436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.529436 (E_RNA) where: Base-Base interactions energy: -856.665 where: short stacking energy: -373.505 Base-Backbone interact. energy: -2.022 local terms energy: -395.842393 where: bonds (distance) C4'-P energy: -73.425 bonds (distance) P-C4' energy: -81.495 flat angles C4'-P-C4' energy: -84.864 flat angles P-C4'-P energy: -64.174 tors. eta vs tors. theta energy: -91.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1199.790053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.790053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.790053 (E_RNA) where: Base-Base interactions energy: -806.953 where: short stacking energy: -343.406 Base-Backbone interact. energy: -2.240 local terms energy: -390.596481 where: bonds (distance) C4'-P energy: -80.394 bonds (distance) P-C4' energy: -78.403 flat angles C4'-P-C4' energy: -94.026 flat angles P-C4'-P energy: -56.947 tors. eta vs tors. theta energy: -80.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1078.736768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.736768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.736768 (E_RNA) where: Base-Base interactions energy: -705.694 where: short stacking energy: -312.233 Base-Backbone interact. energy: -2.263 local terms energy: -370.780286 where: bonds (distance) C4'-P energy: -70.428 bonds (distance) P-C4' energy: -89.691 flat angles C4'-P-C4' energy: -79.885 flat angles P-C4'-P energy: -53.842 tors. eta vs tors. theta energy: -76.934 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: 10 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1029.860987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.860987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.860987 (E_RNA) where: Base-Base interactions energy: -642.730 where: short stacking energy: -326.898 Base-Backbone interact. energy: 4.183 local terms energy: -391.314641 where: bonds (distance) C4'-P energy: -83.161 bonds (distance) P-C4' energy: -84.234 flat angles C4'-P-C4' energy: -88.350 flat angles P-C4'-P energy: -54.123 tors. eta vs tors. theta energy: -81.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -830.175006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.175006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.175006 (E_RNA) where: Base-Base interactions energy: -505.209 where: short stacking energy: -268.261 Base-Backbone interact. energy: -1.493 local terms energy: -323.472474 where: bonds (distance) C4'-P energy: -67.607 bonds (distance) P-C4' energy: -85.184 flat angles C4'-P-C4' energy: -75.080 flat angles P-C4'-P energy: -41.957 tors. eta vs tors. theta energy: -53.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -728.795606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.795606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.795606 (E_RNA) where: Base-Base interactions energy: -433.208 where: short stacking energy: -215.692 Base-Backbone interact. energy: 1.408 local terms energy: -296.995485 where: bonds (distance) C4'-P energy: -74.351 bonds (distance) P-C4' energy: -73.875 flat angles C4'-P-C4' energy: -68.371 flat angles P-C4'-P energy: -51.591 tors. eta vs tors. theta energy: -28.808 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: 8, replica: 2 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -607.485300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.485300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.485300 (E_RNA) where: Base-Base interactions energy: -340.216 where: short stacking energy: -180.376 Base-Backbone interact. energy: -2.060 local terms energy: -265.209643 where: bonds (distance) C4'-P energy: -47.219 bonds (distance) P-C4' energy: -84.797 flat angles C4'-P-C4' energy: -77.649 flat angles P-C4'-P energy: -43.857 tors. eta vs tors. theta energy: -11.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -557.830024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.830024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.830024 (E_RNA) where: Base-Base interactions energy: -306.253 where: short stacking energy: -168.209 Base-Backbone interact. energy: -2.699 local terms energy: -248.877958 where: bonds (distance) C4'-P energy: -63.971 bonds (distance) P-C4' energy: -78.729 flat angles C4'-P-C4' energy: -48.668 flat angles P-C4'-P energy: -41.755 tors. eta vs tors. theta energy: -15.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -490.680285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.680285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.680285 (E_RNA) where: Base-Base interactions energy: -245.724 where: short stacking energy: -141.598 Base-Backbone interact. energy: -0.084 local terms energy: -244.872702 where: bonds (distance) C4'-P energy: -53.186 bonds (distance) P-C4' energy: -77.948 flat angles C4'-P-C4' energy: -72.552 flat angles P-C4'-P energy: -35.841 tors. eta vs tors. theta energy: -5.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1420.621962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.621962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.621962 (E_RNA) where: Base-Base interactions energy: -954.290 where: short stacking energy: -421.135 Base-Backbone interact. energy: -3.321 local terms energy: -463.010926 where: bonds (distance) C4'-P energy: -85.609 bonds (distance) P-C4' energy: -88.156 flat angles C4'-P-C4' energy: -96.798 flat angles P-C4'-P energy: -66.468 tors. eta vs tors. theta energy: -125.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1268.195551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.195551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.195551 (E_RNA) where: Base-Base interactions energy: -878.736 where: short stacking energy: -375.901 Base-Backbone interact. energy: -0.480 local terms energy: -388.979613 where: bonds (distance) C4'-P energy: -85.097 bonds (distance) P-C4' energy: -81.639 flat angles C4'-P-C4' energy: -83.487 flat angles P-C4'-P energy: -46.001 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: 3, replica: 6 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1228.234060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.234060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.234060 (E_RNA) where: Base-Base interactions energy: -826.853 where: short stacking energy: -367.449 Base-Backbone interact. energy: -0.796 local terms energy: -400.585723 where: bonds (distance) C4'-P energy: -76.965 bonds (distance) P-C4' energy: -92.340 flat angles C4'-P-C4' energy: -80.966 flat angles P-C4'-P energy: -60.708 tors. eta vs tors. theta energy: -89.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1086.980280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.980280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.980280 (E_RNA) where: Base-Base interactions energy: -717.389 where: short stacking energy: -310.379 Base-Backbone interact. energy: -2.363 local terms energy: -367.228261 where: bonds (distance) C4'-P energy: -83.442 bonds (distance) P-C4' energy: -70.579 flat angles C4'-P-C4' energy: -94.273 flat angles P-C4'-P energy: -38.372 tors. eta vs tors. theta energy: -80.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1026.595660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.595660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.595660 (E_RNA) where: Base-Base interactions energy: -642.548 where: short stacking energy: -309.308 Base-Backbone interact. energy: -1.995 local terms energy: -382.053417 where: bonds (distance) C4'-P energy: -73.740 bonds (distance) P-C4' energy: -77.538 flat angles C4'-P-C4' energy: -91.101 flat angles P-C4'-P energy: -59.877 tors. eta vs tors. theta energy: -79.797 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: 6, replica: 5 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -859.161652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.161652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.161652 (E_RNA) where: Base-Base interactions energy: -536.835 where: short stacking energy: -267.811 Base-Backbone interact. energy: -1.161 local terms energy: -321.166339 where: bonds (distance) C4'-P energy: -62.656 bonds (distance) P-C4' energy: -78.806 flat angles C4'-P-C4' energy: -69.124 flat angles P-C4'-P energy: -52.929 tors. eta vs tors. theta energy: -57.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -698.548129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.548129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.548129 (E_RNA) where: Base-Base interactions energy: -403.015 where: short stacking energy: -205.152 Base-Backbone interact. energy: -0.600 local terms energy: -294.933834 where: bonds (distance) C4'-P energy: -70.902 bonds (distance) P-C4' energy: -77.016 flat angles C4'-P-C4' energy: -68.500 flat angles P-C4'-P energy: -44.162 tors. eta vs tors. theta energy: -34.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -620.076706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.076706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.076706 (E_RNA) where: Base-Base interactions energy: -358.692 where: short stacking energy: -194.205 Base-Backbone interact. energy: 3.109 local terms energy: -264.494574 where: bonds (distance) C4'-P energy: -61.892 bonds (distance) P-C4' energy: -69.093 flat angles C4'-P-C4' energy: -74.000 flat angles P-C4'-P energy: -44.447 tors. eta vs tors. theta energy: -15.062 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: 9 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -539.454805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.454805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.454805 (E_RNA) where: Base-Base interactions energy: -294.574 where: short stacking energy: -159.577 Base-Backbone interact. energy: 3.133 local terms energy: -248.013863 where: bonds (distance) C4'-P energy: -68.825 bonds (distance) P-C4' energy: -68.563 flat angles C4'-P-C4' energy: -76.043 flat angles P-C4'-P energy: -27.642 tors. eta vs tors. theta energy: -6.941 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: 4 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -495.533168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.533168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.533168 (E_RNA) where: Base-Base interactions energy: -231.823 where: short stacking energy: -122.102 Base-Backbone interact. energy: -0.909 local terms energy: -262.801084 where: bonds (distance) C4'-P energy: -70.389 bonds (distance) P-C4' energy: -76.252 flat angles C4'-P-C4' energy: -70.877 flat angles P-C4'-P energy: -41.349 tors. eta vs tors. theta energy: -3.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1411.621815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.621815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.621815 (E_RNA) where: Base-Base interactions energy: -957.490 where: short stacking energy: -427.858 Base-Backbone interact. energy: -0.805 local terms energy: -453.326698 where: bonds (distance) C4'-P energy: -88.363 bonds (distance) P-C4' energy: -82.485 flat angles C4'-P-C4' energy: -100.593 flat angles P-C4'-P energy: -56.388 tors. eta vs tors. theta energy: -125.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1252.487983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.487983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.487983 (E_RNA) where: Base-Base interactions energy: -856.799 where: short stacking energy: -351.218 Base-Backbone interact. energy: 0.607 local terms energy: -396.295617 where: bonds (distance) C4'-P energy: -80.545 bonds (distance) P-C4' energy: -84.068 flat angles C4'-P-C4' energy: -91.251 flat angles P-C4'-P energy: -54.905 tors. eta vs tors. theta energy: -85.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1255.751910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.751910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.751910 (E_RNA) where: Base-Base interactions energy: -841.682 where: short stacking energy: -371.761 Base-Backbone interact. energy: -2.160 local terms energy: -411.909516 where: bonds (distance) C4'-P energy: -71.907 bonds (distance) P-C4' energy: -82.241 flat angles C4'-P-C4' energy: -100.620 flat angles P-C4'-P energy: -54.764 tors. eta vs tors. theta energy: -102.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1113.110003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.110003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.110003 (E_RNA) where: Base-Base interactions energy: -749.847 where: short stacking energy: -318.979 Base-Backbone interact. energy: -2.570 local terms energy: -360.692689 where: bonds (distance) C4'-P energy: -76.391 bonds (distance) P-C4' energy: -72.299 flat angles C4'-P-C4' energy: -89.541 flat angles P-C4'-P energy: -46.181 tors. eta vs tors. theta energy: -76.281 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: 10 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -992.816516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.816516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.816516 (E_RNA) where: Base-Base interactions energy: -619.990 where: short stacking energy: -332.956 Base-Backbone interact. energy: -0.634 local terms energy: -372.192703 where: bonds (distance) C4'-P energy: -74.173 bonds (distance) P-C4' energy: -76.019 flat angles C4'-P-C4' energy: -80.895 flat angles P-C4'-P energy: -48.863 tors. eta vs tors. theta energy: -92.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -887.570971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.570971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.570971 (E_RNA) where: Base-Base interactions energy: -555.261 where: short stacking energy: -261.465 Base-Backbone interact. energy: 1.085 local terms energy: -333.395795 where: bonds (distance) C4'-P energy: -65.349 bonds (distance) P-C4' energy: -80.534 flat angles C4'-P-C4' energy: -80.344 flat angles P-C4'-P energy: -50.192 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: 7, replica: 3 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -761.906446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.906446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.906446 (E_RNA) where: Base-Base interactions energy: -449.186 where: short stacking energy: -245.535 Base-Backbone interact. energy: 3.352 local terms energy: -316.073086 where: bonds (distance) C4'-P energy: -72.766 bonds (distance) P-C4' energy: -65.700 flat angles C4'-P-C4' energy: -83.189 flat angles P-C4'-P energy: -49.980 tors. eta vs tors. theta energy: -44.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -585.489853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.489853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.489853 (E_RNA) where: Base-Base interactions energy: -334.412 where: short stacking energy: -172.637 Base-Backbone interact. energy: 3.020 local terms energy: -254.098409 where: bonds (distance) C4'-P energy: -64.562 bonds (distance) P-C4' energy: -71.072 flat angles C4'-P-C4' energy: -69.701 flat angles P-C4'-P energy: -40.345 tors. eta vs tors. theta energy: -8.418 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: 9 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -563.164686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.164686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.164686 (E_RNA) where: Base-Base interactions energy: -312.174 where: short stacking energy: -176.984 Base-Backbone interact. energy: -0.997 local terms energy: -249.994427 where: bonds (distance) C4'-P energy: -76.581 bonds (distance) P-C4' energy: -71.059 flat angles C4'-P-C4' energy: -57.350 flat angles P-C4'-P energy: -21.098 tors. eta vs tors. theta energy: -23.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -443.099358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.099358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.099358 (E_RNA) where: Base-Base interactions energy: -214.099 where: short stacking energy: -125.313 Base-Backbone interact. energy: -0.407 local terms energy: -228.593984 where: bonds (distance) C4'-P energy: -66.389 bonds (distance) P-C4' energy: -62.788 flat angles C4'-P-C4' energy: -71.520 flat angles P-C4'-P energy: -24.333 tors. eta vs tors. theta energy: -3.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1426.257710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.257710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.257710 (E_RNA) where: Base-Base interactions energy: -981.146 where: short stacking energy: -410.710 Base-Backbone interact. energy: -0.625 local terms energy: -444.487007 where: bonds (distance) C4'-P energy: -85.974 bonds (distance) P-C4' energy: -87.177 flat angles C4'-P-C4' energy: -90.806 flat angles P-C4'-P energy: -63.919 tors. eta vs tors. theta energy: -116.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1270.529651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.529651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.529651 (E_RNA) where: Base-Base interactions energy: -871.123 where: short stacking energy: -384.848 Base-Backbone interact. energy: -1.413 local terms energy: -397.994048 where: bonds (distance) C4'-P energy: -78.372 bonds (distance) P-C4' energy: -75.346 flat angles C4'-P-C4' energy: -99.324 flat angles P-C4'-P energy: -49.024 tors. eta vs tors. theta energy: -95.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1274.449379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.449379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.449379 (E_RNA) where: Base-Base interactions energy: -864.691 where: short stacking energy: -389.476 Base-Backbone interact. energy: -1.810 local terms energy: -407.948471 where: bonds (distance) C4'-P energy: -79.258 bonds (distance) P-C4' energy: -87.148 flat angles C4'-P-C4' energy: -92.947 flat angles P-C4'-P energy: -54.817 tors. eta vs tors. theta energy: -93.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1112.385844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.385844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.385844 (E_RNA) where: Base-Base interactions energy: -754.105 where: short stacking energy: -347.283 Base-Backbone interact. energy: -4.436 local terms energy: -353.844623 where: bonds (distance) C4'-P energy: -66.065 bonds (distance) P-C4' energy: -73.248 flat angles C4'-P-C4' energy: -81.806 flat angles P-C4'-P energy: -50.925 tors. eta vs tors. theta energy: -81.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1013.374298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.374298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.374298 (E_RNA) where: Base-Base interactions energy: -663.595 where: short stacking energy: -325.187 Base-Backbone interact. energy: -1.424 local terms energy: -348.355167 where: bonds (distance) C4'-P energy: -68.945 bonds (distance) P-C4' energy: -78.642 flat angles C4'-P-C4' energy: -77.891 flat angles P-C4'-P energy: -43.191 tors. eta vs tors. theta energy: -79.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -959.994244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.994244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.994244 (E_RNA) where: Base-Base interactions energy: -609.240 where: short stacking energy: -312.655 Base-Backbone interact. energy: -0.008 local terms energy: -350.747153 where: bonds (distance) C4'-P energy: -66.401 bonds (distance) P-C4' energy: -71.710 flat angles C4'-P-C4' energy: -78.266 flat angles P-C4'-P energy: -57.930 tors. eta vs tors. theta energy: -76.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -774.449325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.449325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.449325 (E_RNA) where: Base-Base interactions energy: -480.282 where: short stacking energy: -251.185 Base-Backbone interact. energy: -2.242 local terms energy: -291.926233 where: bonds (distance) C4'-P energy: -55.740 bonds (distance) P-C4' energy: -71.956 flat angles C4'-P-C4' energy: -74.727 flat angles P-C4'-P energy: -37.426 tors. eta vs tors. theta energy: -52.077 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: 28 Temperature: 1.250000 Total energy: -659.135210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.135210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.135210 (E_RNA) where: Base-Base interactions energy: -374.109 where: short stacking energy: -191.727 Base-Backbone interact. energy: -0.556 local terms energy: -284.470621 where: bonds (distance) C4'-P energy: -75.134 bonds (distance) P-C4' energy: -81.515 flat angles C4'-P-C4' energy: -67.423 flat angles P-C4'-P energy: -41.726 tors. eta vs tors. theta energy: -18.673 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: 9 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -590.938947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.938947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.938947 (E_RNA) where: Base-Base interactions energy: -317.509 where: short stacking energy: -169.113 Base-Backbone interact. energy: 0.640 local terms energy: -274.069819 where: bonds (distance) C4'-P energy: -72.595 bonds (distance) P-C4' energy: -61.794 flat angles C4'-P-C4' energy: -75.015 flat angles P-C4'-P energy: -45.325 tors. eta vs tors. theta energy: -19.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -424.803674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.803674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.803674 (E_RNA) where: Base-Base interactions energy: -220.769 where: short stacking energy: -125.841 Base-Backbone interact. energy: 0.772 local terms energy: -204.806280 where: bonds (distance) C4'-P energy: -55.405 bonds (distance) P-C4' energy: -68.258 flat angles C4'-P-C4' energy: -41.906 flat angles P-C4'-P energy: -38.654 tors. eta vs tors. theta energy: -0.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1417.871118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.871118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.871118 (E_RNA) where: Base-Base interactions energy: -967.655 where: short stacking energy: -414.774 Base-Backbone interact. energy: -1.700 local terms energy: -448.516806 where: bonds (distance) C4'-P energy: -81.323 bonds (distance) P-C4' energy: -85.990 flat angles C4'-P-C4' energy: -105.055 flat angles P-C4'-P energy: -57.303 tors. eta vs tors. theta energy: -118.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1269.259314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.259314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.259314 (E_RNA) where: Base-Base interactions energy: -866.946 where: short stacking energy: -388.306 Base-Backbone interact. energy: -0.582 local terms energy: -401.731273 where: bonds (distance) C4'-P energy: -75.096 bonds (distance) P-C4' energy: -88.322 flat angles C4'-P-C4' energy: -83.454 flat angles P-C4'-P energy: -56.350 tors. eta vs tors. theta energy: -98.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1266.838383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.838383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.838383 (E_RNA) where: Base-Base interactions energy: -859.298 where: short stacking energy: -388.480 Base-Backbone interact. energy: -0.810 local terms energy: -406.730065 where: bonds (distance) C4'-P energy: -78.151 bonds (distance) P-C4' energy: -84.566 flat angles C4'-P-C4' energy: -87.458 flat angles P-C4'-P energy: -51.144 tors. eta vs tors. theta energy: -105.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1210.525347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.525347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.525347 (E_RNA) where: Base-Base interactions energy: -837.448 where: short stacking energy: -343.194 Base-Backbone interact. energy: -1.515 local terms energy: -371.562374 where: bonds (distance) C4'-P energy: -72.850 bonds (distance) P-C4' energy: -81.001 flat angles C4'-P-C4' energy: -78.740 flat angles P-C4'-P energy: -49.277 tors. eta vs tors. theta energy: -89.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1062.962397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.962397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.962397 (E_RNA) where: Base-Base interactions energy: -706.622 where: short stacking energy: -333.988 Base-Backbone interact. energy: 1.152 local terms energy: -357.492244 where: bonds (distance) C4'-P energy: -69.193 bonds (distance) P-C4' energy: -83.359 flat angles C4'-P-C4' energy: -77.348 flat angles P-C4'-P energy: -44.520 tors. eta vs tors. theta energy: -83.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -995.388842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.388842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.388842 (E_RNA) where: Base-Base interactions energy: -643.102 where: short stacking energy: -319.807 Base-Backbone interact. energy: -0.548 local terms energy: -351.739673 where: bonds (distance) C4'-P energy: -73.655 bonds (distance) P-C4' energy: -71.141 flat angles C4'-P-C4' energy: -83.639 flat angles P-C4'-P energy: -41.114 tors. eta vs tors. theta energy: -82.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -714.932857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.932857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.932857 (E_RNA) where: Base-Base interactions energy: -420.723 where: short stacking energy: -236.384 Base-Backbone interact. energy: -1.896 local terms energy: -292.313705 where: bonds (distance) C4'-P energy: -67.163 bonds (distance) P-C4' energy: -63.654 flat angles C4'-P-C4' energy: -68.591 flat angles P-C4'-P energy: -41.016 tors. eta vs tors. theta energy: -51.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -661.809759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.809759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.809759 (E_RNA) where: Base-Base interactions energy: -400.328 where: short stacking energy: -224.413 Base-Backbone interact. energy: 4.622 local terms energy: -266.103732 where: bonds (distance) C4'-P energy: -56.892 bonds (distance) P-C4' energy: -76.189 flat angles C4'-P-C4' energy: -63.959 flat angles P-C4'-P energy: -39.030 tors. eta vs tors. theta energy: -30.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -639.625603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.625603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.625603 (E_RNA) where: Base-Base interactions energy: -382.850 where: short stacking energy: -205.124 Base-Backbone interact. energy: -0.198 local terms energy: -256.577619 where: bonds (distance) C4'-P energy: -64.105 bonds (distance) P-C4' energy: -67.805 flat angles C4'-P-C4' energy: -58.526 flat angles P-C4'-P energy: -46.113 tors. eta vs tors. theta energy: -20.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -431.275559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.275559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.275559 (E_RNA) where: Base-Base interactions energy: -189.514 where: short stacking energy: -115.437 Base-Backbone interact. energy: -2.526 local terms energy: -239.235571 where: bonds (distance) C4'-P energy: -75.460 bonds (distance) P-C4' energy: -80.532 flat angles C4'-P-C4' energy: -56.745 flat angles P-C4'-P energy: -41.021 tors. eta vs tors. theta energy: 14.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1421.985627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.985627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.985627 (E_RNA) where: Base-Base interactions energy: -991.369 where: short stacking energy: -424.472 Base-Backbone interact. energy: -1.739 local terms energy: -428.876795 where: bonds (distance) C4'-P energy: -77.666 bonds (distance) P-C4' energy: -89.258 flat angles C4'-P-C4' energy: -88.481 flat angles P-C4'-P energy: -57.565 tors. eta vs tors. theta energy: -115.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1288.161909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.161909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.161909 (E_RNA) where: Base-Base interactions energy: -883.245 where: short stacking energy: -390.396 Base-Backbone interact. energy: -4.243 local terms energy: -400.673622 where: bonds (distance) C4'-P energy: -84.068 bonds (distance) P-C4' energy: -86.524 flat angles C4'-P-C4' energy: -92.113 flat angles P-C4'-P energy: -45.695 tors. eta vs tors. theta energy: -92.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1234.116519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.116519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.116519 (E_RNA) where: Base-Base interactions energy: -838.057 where: short stacking energy: -381.356 Base-Backbone interact. energy: -0.804 local terms energy: -395.254778 where: bonds (distance) C4'-P energy: -70.091 bonds (distance) P-C4' energy: -84.292 flat angles C4'-P-C4' energy: -84.724 flat angles P-C4'-P energy: -60.112 tors. eta vs tors. theta energy: -96.035 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: 6 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1220.995875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.995875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.995875 (E_RNA) where: Base-Base interactions energy: -810.151 where: short stacking energy: -362.224 Base-Backbone interact. energy: -1.509 local terms energy: -409.336541 where: bonds (distance) C4'-P energy: -69.771 bonds (distance) P-C4' energy: -85.935 flat angles C4'-P-C4' energy: -86.647 flat angles P-C4'-P energy: -65.664 tors. eta vs tors. theta energy: -101.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1125.213191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.213191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.213191 (E_RNA) where: Base-Base interactions energy: -755.132 where: short stacking energy: -345.192 Base-Backbone interact. energy: 0.304 local terms energy: -370.384997 where: bonds (distance) C4'-P energy: -74.250 bonds (distance) P-C4' energy: -69.803 flat angles C4'-P-C4' energy: -74.123 flat angles P-C4'-P energy: -51.153 tors. eta vs tors. theta energy: -101.056 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: 5 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1020.371753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.371753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.371753 (E_RNA) where: Base-Base interactions energy: -648.242 where: short stacking energy: -326.806 Base-Backbone interact. energy: 1.865 local terms energy: -373.994879 where: bonds (distance) C4'-P energy: -63.228 bonds (distance) P-C4' energy: -86.310 flat angles C4'-P-C4' energy: -91.762 flat angles P-C4'-P energy: -55.929 tors. eta vs tors. theta energy: -76.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -738.813964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.813964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.813964 (E_RNA) where: Base-Base interactions energy: -452.267 where: short stacking energy: -237.716 Base-Backbone interact. energy: 3.751 local terms energy: -290.297749 where: bonds (distance) C4'-P energy: -67.999 bonds (distance) P-C4' energy: -71.767 flat angles C4'-P-C4' energy: -63.157 flat angles P-C4'-P energy: -37.644 tors. eta vs tors. theta energy: -49.730 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: 9 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -662.822671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.822671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.822671 (E_RNA) where: Base-Base interactions energy: -407.998 where: short stacking energy: -205.154 Base-Backbone interact. energy: -0.759 local terms energy: -254.065146 where: bonds (distance) C4'-P energy: -67.207 bonds (distance) P-C4' energy: -73.373 flat angles C4'-P-C4' energy: -46.341 flat angles P-C4'-P energy: -49.356 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: 9, replica: 4 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -461.582077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.582077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.582077 (E_RNA) where: Base-Base interactions energy: -217.860 where: short stacking energy: -142.251 Base-Backbone interact. energy: -0.224 local terms energy: -243.498697 where: bonds (distance) C4'-P energy: -79.306 bonds (distance) P-C4' energy: -68.630 flat angles C4'-P-C4' energy: -70.505 flat angles P-C4'-P energy: -21.936 tors. eta vs tors. theta energy: -3.122 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: 2 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -610.249133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.249133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.249133 (E_RNA) where: Base-Base interactions energy: -358.846 where: short stacking energy: -183.332 Base-Backbone interact. energy: -2.949 local terms energy: -248.454682 where: bonds (distance) C4'-P energy: -57.019 bonds (distance) P-C4' energy: -72.086 flat angles C4'-P-C4' energy: -58.956 flat angles P-C4'-P energy: -38.202 tors. eta vs tors. theta energy: -22.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1433.878455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.878455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.878455 (E_RNA) where: Base-Base interactions energy: -978.431 where: short stacking energy: -426.383 Base-Backbone interact. energy: -2.255 local terms energy: -453.192650 where: bonds (distance) C4'-P energy: -82.996 bonds (distance) P-C4' energy: -99.143 flat angles C4'-P-C4' energy: -90.913 flat angles P-C4'-P energy: -66.624 tors. eta vs tors. theta energy: -113.517 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: 7 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1287.948603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.948603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.948603 (E_RNA) where: Base-Base interactions energy: -879.196 where: short stacking energy: -387.155 Base-Backbone interact. energy: -2.510 local terms energy: -406.242941 where: bonds (distance) C4'-P energy: -78.080 bonds (distance) P-C4' energy: -84.920 flat angles C4'-P-C4' energy: -84.142 flat angles P-C4'-P energy: -67.790 tors. eta vs tors. theta energy: -91.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1246.417982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.417982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.417982 (E_RNA) where: Base-Base interactions energy: -844.980 where: short stacking energy: -379.475 Base-Backbone interact. energy: -0.216 local terms energy: -401.221158 where: bonds (distance) C4'-P energy: -78.054 bonds (distance) P-C4' energy: -84.651 flat angles C4'-P-C4' energy: -83.657 flat angles P-C4'-P energy: -55.387 tors. eta vs tors. theta energy: -99.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1193.023817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.023817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.023817 (E_RNA) where: Base-Base interactions energy: -810.899 where: short stacking energy: -378.358 Base-Backbone interact. energy: 1.333 local terms energy: -383.457680 where: bonds (distance) C4'-P energy: -77.703 bonds (distance) P-C4' energy: -77.707 flat angles C4'-P-C4' energy: -80.852 flat angles P-C4'-P energy: -56.675 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: 5, replica: 10 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1148.081807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.081807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.081807 (E_RNA) where: Base-Base interactions energy: -774.017 where: short stacking energy: -348.703 Base-Backbone interact. energy: 0.811 local terms energy: -374.875909 where: bonds (distance) C4'-P energy: -68.413 bonds (distance) P-C4' energy: -78.299 flat angles C4'-P-C4' energy: -92.849 flat angles P-C4'-P energy: -51.663 tors. eta vs tors. theta energy: -83.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1004.046636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.046636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.046636 (E_RNA) where: Base-Base interactions energy: -658.449 where: short stacking energy: -293.731 Base-Backbone interact. energy: -2.401 local terms energy: -343.196686 where: bonds (distance) C4'-P energy: -67.211 bonds (distance) P-C4' energy: -81.744 flat angles C4'-P-C4' energy: -69.813 flat angles P-C4'-P energy: -49.014 tors. eta vs tors. theta energy: -75.415 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: 31 Temperature: 1.200000 Total energy: -742.413662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.413662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.413662 (E_RNA) where: Base-Base interactions energy: -437.534 where: short stacking energy: -239.254 Base-Backbone interact. energy: 0.465 local terms energy: -305.344685 where: bonds (distance) C4'-P energy: -77.738 bonds (distance) P-C4' energy: -78.446 flat angles C4'-P-C4' energy: -76.236 flat angles P-C4'-P energy: -30.929 tors. eta vs tors. theta energy: -41.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -679.901131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.901131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.901131 (E_RNA) where: Base-Base interactions energy: -416.495 where: short stacking energy: -225.538 Base-Backbone interact. energy: -2.083 local terms energy: -261.322515 where: bonds (distance) C4'-P energy: -61.216 bonds (distance) P-C4' energy: -68.443 flat angles C4'-P-C4' energy: -64.377 flat angles P-C4'-P energy: -37.023 tors. eta vs tors. theta energy: -30.264 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: 4 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -500.885984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.885984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.885984 (E_RNA) where: Base-Base interactions energy: -272.925 where: short stacking energy: -142.800 Base-Backbone interact. energy: -1.736 local terms energy: -226.225072 where: bonds (distance) C4'-P energy: -59.963 bonds (distance) P-C4' energy: -66.589 flat angles C4'-P-C4' energy: -59.902 flat angles P-C4'-P energy: -41.770 tors. eta vs tors. theta energy: 1.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -508.522479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.522479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.522479 (E_RNA) where: Base-Base interactions energy: -283.711 where: short stacking energy: -165.957 Base-Backbone interact. energy: 2.773 local terms energy: -227.585125 where: bonds (distance) C4'-P energy: -60.311 bonds (distance) P-C4' energy: -65.803 flat angles C4'-P-C4' energy: -55.007 flat angles P-C4'-P energy: -36.494 tors. eta vs tors. theta energy: -9.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1445.304052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.304052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.304052 (E_RNA) where: Base-Base interactions energy: -986.429 where: short stacking energy: -408.301 Base-Backbone interact. energy: -1.874 local terms energy: -457.001746 where: bonds (distance) C4'-P energy: -90.220 bonds (distance) P-C4' energy: -90.513 flat angles C4'-P-C4' energy: -96.279 flat angles P-C4'-P energy: -61.359 tors. eta vs tors. theta energy: -118.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1251.600174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.600174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.600174 (E_RNA) where: Base-Base interactions energy: -851.412 where: short stacking energy: -373.585 Base-Backbone interact. energy: -1.183 local terms energy: -399.005845 where: bonds (distance) C4'-P energy: -69.661 bonds (distance) P-C4' energy: -88.449 flat angles C4'-P-C4' energy: -85.866 flat angles P-C4'-P energy: -64.971 tors. eta vs tors. theta energy: -90.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1231.994155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.994155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.994155 (E_RNA) where: Base-Base interactions energy: -816.823 where: short stacking energy: -337.494 Base-Backbone interact. energy: -3.143 local terms energy: -412.028064 where: bonds (distance) C4'-P energy: -89.315 bonds (distance) P-C4' energy: -87.109 flat angles C4'-P-C4' energy: -91.144 flat angles P-C4'-P energy: -56.759 tors. eta vs tors. theta energy: -87.701 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: 6 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1186.763886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.763886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.763886 (E_RNA) where: Base-Base interactions energy: -789.046 where: short stacking energy: -348.083 Base-Backbone interact. energy: -2.581 local terms energy: -395.137338 where: bonds (distance) C4'-P energy: -71.357 bonds (distance) P-C4' energy: -83.646 flat angles C4'-P-C4' energy: -90.276 flat angles P-C4'-P energy: -62.379 tors. eta vs tors. theta energy: -87.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1218.818084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.818084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.818084 (E_RNA) where: Base-Base interactions energy: -834.055 where: short stacking energy: -367.355 Base-Backbone interact. energy: 0.613 local terms energy: -385.376098 where: bonds (distance) C4'-P energy: -65.029 bonds (distance) P-C4' energy: -71.987 flat angles C4'-P-C4' energy: -86.090 flat angles P-C4'-P energy: -58.158 tors. eta vs tors. theta energy: -104.113 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: 32 Temperature: 1.150000 Total energy: -993.441590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.441590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.441590 (E_RNA) where: Base-Base interactions energy: -655.955 where: short stacking energy: -302.994 Base-Backbone interact. energy: 2.404 local terms energy: -339.890103 where: bonds (distance) C4'-P energy: -72.203 bonds (distance) P-C4' energy: -79.558 flat angles C4'-P-C4' energy: -79.244 flat angles P-C4'-P energy: -37.103 tors. eta vs tors. theta energy: -71.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -816.043464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.043464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.043464 (E_RNA) where: Base-Base interactions energy: -504.848 where: short stacking energy: -259.022 Base-Backbone interact. energy: -1.379 local terms energy: -309.816791 where: bonds (distance) C4'-P energy: -75.239 bonds (distance) P-C4' energy: -67.275 flat angles C4'-P-C4' energy: -89.792 flat angles P-C4'-P energy: -26.396 tors. eta vs tors. theta energy: -51.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -621.734769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.734769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.734769 (E_RNA) where: Base-Base interactions energy: -344.637 where: short stacking energy: -173.664 Base-Backbone interact. energy: 0.626 local terms energy: -277.723530 where: bonds (distance) C4'-P energy: -66.790 bonds (distance) P-C4' energy: -73.940 flat angles C4'-P-C4' energy: -69.499 flat angles P-C4'-P energy: -53.873 tors. eta vs tors. theta energy: -13.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -537.806670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.806670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.806670 (E_RNA) where: Base-Base interactions energy: -293.147 where: short stacking energy: -181.431 Base-Backbone interact. energy: -2.440 local terms energy: -242.219134 where: bonds (distance) C4'-P energy: -62.148 bonds (distance) P-C4' energy: -69.630 flat angles C4'-P-C4' energy: -64.482 flat angles P-C4'-P energy: -27.353 tors. eta vs tors. theta energy: -18.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -509.647808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.647808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.647808 (E_RNA) where: Base-Base interactions energy: -281.331 where: short stacking energy: -140.769 Base-Backbone interact. energy: -0.749 local terms energy: -227.568032 where: bonds (distance) C4'-P energy: -69.312 bonds (distance) P-C4' energy: -74.761 flat angles C4'-P-C4' energy: -57.277 flat angles P-C4'-P energy: -20.509 tors. eta vs tors. theta energy: -5.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1432.224627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.224627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.224627 (E_RNA) where: Base-Base interactions energy: -999.007 where: short stacking energy: -439.730 Base-Backbone interact. energy: -2.806 local terms energy: -430.412048 where: bonds (distance) C4'-P energy: -87.388 bonds (distance) P-C4' energy: -77.771 flat angles C4'-P-C4' energy: -93.501 flat angles P-C4'-P energy: -56.303 tors. eta vs tors. theta energy: -115.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1252.039600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.039600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.039600 (E_RNA) where: Base-Base interactions energy: -850.536 where: short stacking energy: -375.414 Base-Backbone interact. energy: -2.090 local terms energy: -399.413841 where: bonds (distance) C4'-P energy: -77.999 bonds (distance) P-C4' energy: -77.679 flat angles C4'-P-C4' energy: -88.658 flat angles P-C4'-P energy: -67.814 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: 3, replica: 1 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1238.110241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.110241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.110241 (E_RNA) where: Base-Base interactions energy: -822.170 where: short stacking energy: -371.459 Base-Backbone interact. energy: -1.570 local terms energy: -414.370588 where: bonds (distance) C4'-P energy: -80.371 bonds (distance) P-C4' energy: -97.174 flat angles C4'-P-C4' energy: -91.156 flat angles P-C4'-P energy: -58.624 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: 10 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1204.260020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.260020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.260020 (E_RNA) where: Base-Base interactions energy: -830.132 where: short stacking energy: -368.585 Base-Backbone interact. energy: -1.624 local terms energy: -372.503700 where: bonds (distance) C4'-P energy: -81.988 bonds (distance) P-C4' energy: -70.687 flat angles C4'-P-C4' energy: -71.377 flat angles P-C4'-P energy: -52.260 tors. eta vs tors. theta energy: -96.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1168.405172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.405172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.405172 (E_RNA) where: Base-Base interactions energy: -784.351 where: short stacking energy: -356.487 Base-Backbone interact. energy: -1.747 local terms energy: -382.307150 where: bonds (distance) C4'-P energy: -70.159 bonds (distance) P-C4' energy: -78.594 flat angles C4'-P-C4' energy: -90.559 flat angles P-C4'-P energy: -54.241 tors. eta vs tors. theta energy: -88.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -968.450341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.450341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.450341 (E_RNA) where: Base-Base interactions energy: -627.938 where: short stacking energy: -296.507 Base-Backbone interact. energy: -2.994 local terms energy: -337.518941 where: bonds (distance) C4'-P energy: -59.962 bonds (distance) P-C4' energy: -77.022 flat angles C4'-P-C4' energy: -81.456 flat angles P-C4'-P energy: -46.721 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: 7, replica: 3 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -755.510778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.510778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.510778 (E_RNA) where: Base-Base interactions energy: -470.672 where: short stacking energy: -240.711 Base-Backbone interact. energy: -1.749 local terms energy: -283.090341 where: bonds (distance) C4'-P energy: -63.964 bonds (distance) P-C4' energy: -79.104 flat angles C4'-P-C4' energy: -66.642 flat angles P-C4'-P energy: -46.878 tors. eta vs tors. theta energy: -26.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -703.281211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.281211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.281211 (E_RNA) where: Base-Base interactions energy: -418.509 where: short stacking energy: -214.910 Base-Backbone interact. energy: -1.055 local terms energy: -283.717807 where: bonds (distance) C4'-P energy: -78.701 bonds (distance) P-C4' energy: -77.690 flat angles C4'-P-C4' energy: -67.655 flat angles P-C4'-P energy: -49.829 tors. eta vs tors. theta energy: -9.843 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: 33 Temperature: 1.300000 Total energy: -595.599282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.599282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.599282 (E_RNA) where: Base-Base interactions energy: -353.726 where: short stacking energy: -189.524 Base-Backbone interact. energy: -1.601 local terms energy: -240.271496 where: bonds (distance) C4'-P energy: -61.564 bonds (distance) P-C4' energy: -72.722 flat angles C4'-P-C4' energy: -65.507 flat angles P-C4'-P energy: -31.532 tors. eta vs tors. theta energy: -8.946 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: 10, replica: 4 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -472.396283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.396283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.396283 (E_RNA) where: Base-Base interactions energy: -226.177 where: short stacking energy: -130.806 Base-Backbone interact. energy: 5.252 local terms energy: -251.471804 where: bonds (distance) C4'-P energy: -73.633 bonds (distance) P-C4' energy: -68.267 flat angles C4'-P-C4' energy: -62.972 flat angles P-C4'-P energy: -42.599 tors. eta vs tors. theta energy: -4.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1466.352795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.352795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.352795 (E_RNA) where: Base-Base interactions energy: -1032.828 where: short stacking energy: -430.966 Base-Backbone interact. energy: -2.110 local terms energy: -431.415022 where: bonds (distance) C4'-P energy: -84.348 bonds (distance) P-C4' energy: -85.262 flat angles C4'-P-C4' energy: -87.055 flat angles P-C4'-P energy: -63.878 tors. eta vs tors. theta energy: -110.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1283.490625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.490625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.490625 (E_RNA) where: Base-Base interactions energy: -889.391 where: short stacking energy: -395.403 Base-Backbone interact. energy: 0.660 local terms energy: -394.759502 where: bonds (distance) C4'-P energy: -81.884 bonds (distance) P-C4' energy: -89.263 flat angles C4'-P-C4' energy: -76.063 flat angles P-C4'-P energy: -49.465 tors. eta vs tors. theta energy: -98.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1245.384493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.384493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.384493 (E_RNA) where: Base-Base interactions energy: -858.464 where: short stacking energy: -371.732 Base-Backbone interact. energy: 2.066 local terms energy: -388.985714 where: bonds (distance) C4'-P energy: -71.809 bonds (distance) P-C4' energy: -79.261 flat angles C4'-P-C4' energy: -83.988 flat angles P-C4'-P energy: -56.954 tors. eta vs tors. theta energy: -96.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1214.822755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.822755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.822755 (E_RNA) where: Base-Base interactions energy: -832.719 where: short stacking energy: -387.587 Base-Backbone interact. energy: -2.140 local terms energy: -379.964069 where: bonds (distance) C4'-P energy: -73.839 bonds (distance) P-C4' energy: -78.418 flat angles C4'-P-C4' energy: -79.832 flat angles P-C4'-P energy: -50.758 tors. eta vs tors. theta energy: -97.117 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: 6 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1158.149375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.149375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.149375 (E_RNA) where: Base-Base interactions energy: -792.721 where: short stacking energy: -335.754 Base-Backbone interact. energy: 0.604 local terms energy: -366.031871 where: bonds (distance) C4'-P energy: -79.933 bonds (distance) P-C4' energy: -72.514 flat angles C4'-P-C4' energy: -91.848 flat angles P-C4'-P energy: -44.018 tors. eta vs tors. theta energy: -77.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -969.548452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.548452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.548452 (E_RNA) where: Base-Base interactions energy: -621.725 where: short stacking energy: -288.804 Base-Backbone interact. energy: -2.296 local terms energy: -345.527547 where: bonds (distance) C4'-P energy: -59.396 bonds (distance) P-C4' energy: -83.319 flat angles C4'-P-C4' energy: -79.377 flat angles P-C4'-P energy: -55.450 tors. eta vs tors. theta energy: -67.985 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: 9 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -739.965677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.965677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.965677 (E_RNA) where: Base-Base interactions energy: -449.913 where: short stacking energy: -239.939 Base-Backbone interact. energy: -2.071 local terms energy: -287.981583 where: bonds (distance) C4'-P energy: -67.785 bonds (distance) P-C4' energy: -68.435 flat angles C4'-P-C4' energy: -69.393 flat angles P-C4'-P energy: -42.961 tors. eta vs tors. theta energy: -39.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -755.191172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.191172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.191172 (E_RNA) where: Base-Base interactions energy: -458.163 where: short stacking energy: -218.462 Base-Backbone interact. energy: -0.536 local terms energy: -296.491580 where: bonds (distance) C4'-P energy: -76.924 bonds (distance) P-C4' energy: -73.778 flat angles C4'-P-C4' energy: -63.243 flat angles P-C4'-P energy: -35.261 tors. eta vs tors. theta energy: -47.286 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: 34 Temperature: 1.300000 Total energy: -589.817650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.817650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.817650 (E_RNA) where: Base-Base interactions energy: -333.606 where: short stacking energy: -178.565 Base-Backbone interact. energy: 3.305 local terms energy: -259.516298 where: bonds (distance) C4'-P energy: -66.522 bonds (distance) P-C4' energy: -60.040 flat angles C4'-P-C4' energy: -61.615 flat angles P-C4'-P energy: -52.912 tors. eta vs tors. theta energy: -18.428 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: 4 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -466.474549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.474549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.474549 (E_RNA) where: Base-Base interactions energy: -244.376 where: short stacking energy: -151.725 Base-Backbone interact. energy: -1.637 local terms energy: -220.461654 where: bonds (distance) C4'-P energy: -61.041 bonds (distance) P-C4' energy: -48.867 flat angles C4'-P-C4' energy: -65.733 flat angles P-C4'-P energy: -34.262 tors. eta vs tors. theta energy: -10.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1454.154890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.154890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.154890 (E_RNA) where: Base-Base interactions energy: -1015.236 where: short stacking energy: -442.859 Base-Backbone interact. energy: -2.160 local terms energy: -436.759137 where: bonds (distance) C4'-P energy: -81.996 bonds (distance) P-C4' energy: -82.633 flat angles C4'-P-C4' energy: -92.516 flat angles P-C4'-P energy: -64.600 tors. eta vs tors. theta energy: -115.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1288.037011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.037011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.037011 (E_RNA) where: Base-Base interactions energy: -885.676 where: short stacking energy: -402.768 Base-Backbone interact. energy: -0.037 local terms energy: -402.323434 where: bonds (distance) C4'-P energy: -82.497 bonds (distance) P-C4' energy: -82.259 flat angles C4'-P-C4' energy: -85.526 flat angles P-C4'-P energy: -53.120 tors. eta vs tors. theta energy: -98.922 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: 35 Temperature: 1.000000 Total energy: -1252.577934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.577934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.577934 (E_RNA) where: Base-Base interactions energy: -835.605 where: short stacking energy: -360.629 Base-Backbone interact. energy: -0.556 local terms energy: -416.417086 where: bonds (distance) C4'-P energy: -86.602 bonds (distance) P-C4' energy: -81.967 flat angles C4'-P-C4' energy: -90.203 flat angles P-C4'-P energy: -65.185 tors. eta vs tors. theta energy: -92.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1228.753307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.753307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.753307 (E_RNA) where: Base-Base interactions energy: -821.753 where: short stacking energy: -374.301 Base-Backbone interact. energy: 1.118 local terms energy: -408.118311 where: bonds (distance) C4'-P energy: -88.015 bonds (distance) P-C4' energy: -78.085 flat angles C4'-P-C4' energy: -89.156 flat angles P-C4'-P energy: -56.444 tors. eta vs tors. theta energy: -96.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1139.892855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.892855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.892855 (E_RNA) where: Base-Base interactions energy: -778.382 where: short stacking energy: -331.328 Base-Backbone interact. energy: 1.617 local terms energy: -363.127967 where: bonds (distance) C4'-P energy: -71.247 bonds (distance) P-C4' energy: -82.137 flat angles C4'-P-C4' energy: -71.301 flat angles P-C4'-P energy: -56.459 tors. eta vs tors. theta energy: -81.984 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: 5 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1004.276231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.276231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.276231 (E_RNA) where: Base-Base interactions energy: -644.917 where: short stacking energy: -317.086 Base-Backbone interact. energy: -0.386 local terms energy: -358.974155 where: bonds (distance) C4'-P energy: -67.089 bonds (distance) P-C4' energy: -81.472 flat angles C4'-P-C4' energy: -80.110 flat angles P-C4'-P energy: -43.002 tors. eta vs tors. theta energy: -87.302 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: 9 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -781.777739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.777739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.777739 (E_RNA) where: Base-Base interactions energy: -481.793 where: short stacking energy: -220.452 Base-Backbone interact. energy: 0.569 local terms energy: -300.553261 where: bonds (distance) C4'-P energy: -70.812 bonds (distance) P-C4' energy: -78.742 flat angles C4'-P-C4' energy: -76.615 flat angles P-C4'-P energy: -50.745 tors. eta vs tors. theta energy: -23.639 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: 8, replica: 3 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -710.873732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.873732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.873732 (E_RNA) where: Base-Base interactions energy: -435.936 where: short stacking energy: -219.536 Base-Backbone interact. energy: -0.422 local terms energy: -274.515558 where: bonds (distance) C4'-P energy: -65.614 bonds (distance) P-C4' energy: -72.508 flat angles C4'-P-C4' energy: -63.128 flat angles P-C4'-P energy: -37.727 tors. eta vs tors. theta energy: -35.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -572.612533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.612533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.612533 (E_RNA) where: Base-Base interactions energy: -347.517 where: short stacking energy: -183.562 Base-Backbone interact. energy: 2.502 local terms energy: -227.597737 where: bonds (distance) C4'-P energy: -61.865 bonds (distance) P-C4' energy: -73.463 flat angles C4'-P-C4' energy: -56.218 flat angles P-C4'-P energy: -29.971 tors. eta vs tors. theta energy: -6.081 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: 10, replica: 4 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -450.525234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.525234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.525234 (E_RNA) where: Base-Base interactions energy: -212.308 where: short stacking energy: -143.536 Base-Backbone interact. energy: 0.744 local terms energy: -238.960653 where: bonds (distance) C4'-P energy: -78.929 bonds (distance) P-C4' energy: -64.406 flat angles C4'-P-C4' energy: -59.882 flat angles P-C4'-P energy: -28.690 tors. eta vs tors. theta energy: -7.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1449.186630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.186630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.186630 (E_RNA) where: Base-Base interactions energy: -994.514 where: short stacking energy: -426.241 Base-Backbone interact. energy: 0.734 local terms energy: -455.406517 where: bonds (distance) C4'-P energy: -84.806 bonds (distance) P-C4' energy: -89.435 flat angles C4'-P-C4' energy: -96.048 flat angles P-C4'-P energy: -62.553 tors. eta vs tors. theta energy: -122.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1276.255949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.255949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.255949 (E_RNA) where: Base-Base interactions energy: -875.618 where: short stacking energy: -392.330 Base-Backbone interact. energy: -2.503 local terms energy: -398.135293 where: bonds (distance) C4'-P energy: -81.523 bonds (distance) P-C4' energy: -87.717 flat angles C4'-P-C4' energy: -75.327 flat angles P-C4'-P energy: -48.435 tors. eta vs tors. theta energy: -105.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1271.505711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.505711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.505711 (E_RNA) where: Base-Base interactions energy: -861.696 where: short stacking energy: -394.637 Base-Backbone interact. energy: -0.468 local terms energy: -409.341411 where: bonds (distance) C4'-P energy: -69.937 bonds (distance) P-C4' energy: -87.581 flat angles C4'-P-C4' energy: -80.029 flat angles P-C4'-P energy: -61.473 tors. eta vs tors. theta energy: -110.321 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: 4, replica: 1 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1194.504240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.504240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.504240 (E_RNA) where: Base-Base interactions energy: -800.305 where: short stacking energy: -345.906 Base-Backbone interact. energy: -1.813 local terms energy: -392.386220 where: bonds (distance) C4'-P energy: -90.289 bonds (distance) P-C4' energy: -77.626 flat angles C4'-P-C4' energy: -86.344 flat angles P-C4'-P energy: -53.667 tors. eta vs tors. theta energy: -84.461 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: 6 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1170.447390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.447390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.447390 (E_RNA) where: Base-Base interactions energy: -782.098 where: short stacking energy: -335.190 Base-Backbone interact. energy: -0.427 local terms energy: -387.923138 where: bonds (distance) C4'-P energy: -84.861 bonds (distance) P-C4' energy: -84.940 flat angles C4'-P-C4' energy: -76.070 flat angles P-C4'-P energy: -54.611 tors. eta vs tors. theta energy: -87.441 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: 5 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -977.403370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.403370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.403370 (E_RNA) where: Base-Base interactions energy: -631.324 where: short stacking energy: -316.935 Base-Backbone interact. energy: 0.436 local terms energy: -346.515533 where: bonds (distance) C4'-P energy: -62.755 bonds (distance) P-C4' energy: -83.235 flat angles C4'-P-C4' energy: -85.111 flat angles P-C4'-P energy: -48.420 tors. eta vs tors. theta energy: -66.995 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: 9 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -766.610985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.610985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.610985 (E_RNA) where: Base-Base interactions energy: -437.390 where: short stacking energy: -233.747 Base-Backbone interact. energy: -2.050 local terms energy: -327.170882 where: bonds (distance) C4'-P energy: -76.845 bonds (distance) P-C4' energy: -65.898 flat angles C4'-P-C4' energy: -84.730 flat angles P-C4'-P energy: -55.004 tors. eta vs tors. theta energy: -44.694 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: 36 Temperature: 1.250000 Total energy: -684.491172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.491172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.491172 (E_RNA) where: Base-Base interactions energy: -389.987 where: short stacking energy: -193.350 Base-Backbone interact. energy: 2.237 local terms energy: -296.741098 where: bonds (distance) C4'-P energy: -63.447 bonds (distance) P-C4' energy: -77.337 flat angles C4'-P-C4' energy: -74.068 flat angles P-C4'-P energy: -49.440 tors. eta vs tors. theta energy: -32.449 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: 2 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -588.936385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.936385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.936385 (E_RNA) where: Base-Base interactions energy: -341.714 where: short stacking energy: -173.096 Base-Backbone interact. energy: 1.451 local terms energy: -248.673102 where: bonds (distance) C4'-P energy: -63.332 bonds (distance) P-C4' energy: -80.423 flat angles C4'-P-C4' energy: -50.450 flat angles P-C4'-P energy: -42.351 tors. eta vs tors. theta energy: -12.117 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: 4 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -441.179098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.179098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.179098 (E_RNA) where: Base-Base interactions energy: -199.594 where: short stacking energy: -122.804 Base-Backbone interact. energy: 4.362 local terms energy: -245.947500 where: bonds (distance) C4'-P energy: -62.377 bonds (distance) P-C4' energy: -77.682 flat angles C4'-P-C4' energy: -71.330 flat angles P-C4'-P energy: -43.209 tors. eta vs tors. theta energy: 8.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1445.188409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.188409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.188409 (E_RNA) where: Base-Base interactions energy: -1001.035 where: short stacking energy: -447.573 Base-Backbone interact. energy: 1.912 local terms energy: -446.065215 where: bonds (distance) C4'-P energy: -84.300 bonds (distance) P-C4' energy: -88.251 flat angles C4'-P-C4' energy: -94.353 flat angles P-C4'-P energy: -59.425 tors. eta vs tors. theta energy: -119.736 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: 37 Temperature: 0.950000 Total energy: -1335.269754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.269754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.269754 (E_RNA) where: Base-Base interactions energy: -902.756 where: short stacking energy: -404.603 Base-Backbone interact. energy: -1.134 local terms energy: -431.380251 where: bonds (distance) C4'-P energy: -71.620 bonds (distance) P-C4' energy: -82.473 flat angles C4'-P-C4' energy: -98.765 flat angles P-C4'-P energy: -64.578 tors. eta vs tors. theta energy: -113.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1272.529656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.529656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.529656 (E_RNA) where: Base-Base interactions energy: -871.090 where: short stacking energy: -390.577 Base-Backbone interact. energy: -2.690 local terms energy: -398.749932 where: bonds (distance) C4'-P energy: -85.191 bonds (distance) P-C4' energy: -93.648 flat angles C4'-P-C4' energy: -88.691 flat angles P-C4'-P energy: -37.823 tors. eta vs tors. theta energy: -93.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1209.486780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.486780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.486780 (E_RNA) where: Base-Base interactions energy: -835.461 where: short stacking energy: -365.983 Base-Backbone interact. energy: -1.791 local terms energy: -372.234652 where: bonds (distance) C4'-P energy: -60.811 bonds (distance) P-C4' energy: -69.960 flat angles C4'-P-C4' energy: -79.409 flat angles P-C4'-P energy: -59.464 tors. eta vs tors. theta energy: -102.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1125.652002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.652002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.652002 (E_RNA) where: Base-Base interactions energy: -731.730 where: short stacking energy: -328.513 Base-Backbone interact. energy: -1.051 local terms energy: -392.871589 where: bonds (distance) C4'-P energy: -84.427 bonds (distance) P-C4' energy: -82.906 flat angles C4'-P-C4' energy: -77.520 flat angles P-C4'-P energy: -67.202 tors. eta vs tors. theta energy: -80.816 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: 37 Temperature: 1.150000 Total energy: -1038.263198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.263198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.263198 (E_RNA) where: Base-Base interactions energy: -690.016 where: short stacking energy: -318.324 Base-Backbone interact. energy: -2.011 local terms energy: -346.235898 where: bonds (distance) C4'-P energy: -71.999 bonds (distance) P-C4' energy: -63.456 flat angles C4'-P-C4' energy: -79.524 flat angles P-C4'-P energy: -49.409 tors. eta vs tors. theta energy: -81.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -758.870836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.870836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.870836 (E_RNA) where: Base-Base interactions energy: -475.978 where: short stacking energy: -218.763 Base-Backbone interact. energy: -0.025 local terms energy: -282.867996 where: bonds (distance) C4'-P energy: -64.644 bonds (distance) P-C4' energy: -80.432 flat angles C4'-P-C4' energy: -74.409 flat angles P-C4'-P energy: -45.874 tors. eta vs tors. theta energy: -17.508 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: 3 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -710.688613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.688613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.688613 (E_RNA) where: Base-Base interactions energy: -442.079 where: short stacking energy: -225.790 Base-Backbone interact. energy: -1.577 local terms energy: -267.032829 where: bonds (distance) C4'-P energy: -59.367 bonds (distance) P-C4' energy: -67.396 flat angles C4'-P-C4' energy: -67.278 flat angles P-C4'-P energy: -48.748 tors. eta vs tors. theta energy: -24.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -616.953931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.953931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.953931 (E_RNA) where: Base-Base interactions energy: -334.843 where: short stacking energy: -190.835 Base-Backbone interact. energy: 1.435 local terms energy: -283.546185 where: bonds (distance) C4'-P energy: -58.244 bonds (distance) P-C4' energy: -79.954 flat angles C4'-P-C4' energy: -71.400 flat angles P-C4'-P energy: -48.507 tors. eta vs tors. theta energy: -25.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -445.875328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.875328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.875328 (E_RNA) where: Base-Base interactions energy: -242.671 where: short stacking energy: -135.695 Base-Backbone interact. energy: -0.021 local terms energy: -203.183390 where: bonds (distance) C4'-P energy: -63.232 bonds (distance) P-C4' energy: -64.696 flat angles C4'-P-C4' energy: -50.577 flat angles P-C4'-P energy: -32.765 tors. eta vs tors. theta energy: 8.088 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: 8 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1449.150973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.150973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.150973 (E_RNA) where: Base-Base interactions energy: -992.561 where: short stacking energy: -424.669 Base-Backbone interact. energy: -2.707 local terms energy: -453.883166 where: bonds (distance) C4'-P energy: -91.432 bonds (distance) P-C4' energy: -89.188 flat angles C4'-P-C4' energy: -95.241 flat angles P-C4'-P energy: -61.496 tors. eta vs tors. theta energy: -116.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1325.812539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.812539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.812539 (E_RNA) where: Base-Base interactions energy: -894.367 where: short stacking energy: -413.306 Base-Backbone interact. energy: -0.046 local terms energy: -431.398948 where: bonds (distance) C4'-P energy: -76.552 bonds (distance) P-C4' energy: -83.763 flat angles C4'-P-C4' energy: -87.764 flat angles P-C4'-P energy: -65.945 tors. eta vs tors. theta energy: -117.375 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: 7 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1290.291526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.291526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.291526 (E_RNA) where: Base-Base interactions energy: -885.837 where: short stacking energy: -393.396 Base-Backbone interact. energy: 0.138 local terms energy: -404.592650 where: bonds (distance) C4'-P energy: -71.425 bonds (distance) P-C4' energy: -75.828 flat angles C4'-P-C4' energy: -84.879 flat angles P-C4'-P energy: -65.965 tors. eta vs tors. theta energy: -106.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1206.353268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.353268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.353268 (E_RNA) where: Base-Base interactions energy: -810.027 where: short stacking energy: -352.914 Base-Backbone interact. energy: -1.093 local terms energy: -395.232931 where: bonds (distance) C4'-P energy: -88.042 bonds (distance) P-C4' energy: -82.471 flat angles C4'-P-C4' energy: -83.085 flat angles P-C4'-P energy: -52.639 tors. eta vs tors. theta energy: -88.996 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: 6 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1138.584700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.584700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.584700 (E_RNA) where: Base-Base interactions energy: -755.949 where: short stacking energy: -368.513 Base-Backbone interact. energy: -1.806 local terms energy: -380.830217 where: bonds (distance) C4'-P energy: -75.632 bonds (distance) P-C4' energy: -80.415 flat angles C4'-P-C4' energy: -85.178 flat angles P-C4'-P energy: -55.151 tors. eta vs tors. theta energy: -84.454 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: 6, replica: 5 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1043.545892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.545892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.545892 (E_RNA) where: Base-Base interactions energy: -694.038 where: short stacking energy: -332.854 Base-Backbone interact. energy: -2.272 local terms energy: -347.236007 where: bonds (distance) C4'-P energy: -72.657 bonds (distance) P-C4' energy: -69.758 flat angles C4'-P-C4' energy: -82.366 flat angles P-C4'-P energy: -38.288 tors. eta vs tors. theta energy: -84.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -788.773224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.773224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.773224 (E_RNA) where: Base-Base interactions energy: -510.589 where: short stacking energy: -244.600 Base-Backbone interact. energy: 1.699 local terms energy: -279.883543 where: bonds (distance) C4'-P energy: -73.767 bonds (distance) P-C4' energy: -72.014 flat angles C4'-P-C4' energy: -61.039 flat angles P-C4'-P energy: -42.592 tors. eta vs tors. theta energy: -30.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -763.524476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.524476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.524476 (E_RNA) where: Base-Base interactions energy: -459.359 where: short stacking energy: -244.814 Base-Backbone interact. energy: -1.434 local terms energy: -302.732208 where: bonds (distance) C4'-P energy: -75.029 bonds (distance) P-C4' energy: -74.814 flat angles C4'-P-C4' energy: -79.241 flat angles P-C4'-P energy: -36.370 tors. eta vs tors. theta energy: -37.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -596.434792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.434792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.434792 (E_RNA) where: Base-Base interactions energy: -328.943 where: short stacking energy: -177.526 Base-Backbone interact. energy: 0.971 local terms energy: -268.462687 where: bonds (distance) C4'-P energy: -70.800 bonds (distance) P-C4' energy: -71.433 flat angles C4'-P-C4' energy: -65.200 flat angles P-C4'-P energy: -41.360 tors. eta vs tors. theta energy: -19.670 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: 4 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -427.000266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.000266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.000266 (E_RNA) where: Base-Base interactions energy: -198.779 where: short stacking energy: -112.258 Base-Backbone interact. energy: 2.576 local terms energy: -230.797045 where: bonds (distance) C4'-P energy: -66.989 bonds (distance) P-C4' energy: -67.172 flat angles C4'-P-C4' energy: -60.606 flat angles P-C4'-P energy: -47.860 tors. eta vs tors. theta energy: 11.831 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: 8 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1453.094492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.094492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.094492 (E_RNA) where: Base-Base interactions energy: -1003.185 where: short stacking energy: -444.470 Base-Backbone interact. energy: -2.708 local terms energy: -447.202249 where: bonds (distance) C4'-P energy: -68.256 bonds (distance) P-C4' energy: -92.138 flat angles C4'-P-C4' energy: -101.849 flat angles P-C4'-P energy: -58.755 tors. eta vs tors. theta energy: -126.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1368.775067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.775067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.775067 (E_RNA) where: Base-Base interactions energy: -923.933 where: short stacking energy: -445.895 Base-Backbone interact. energy: -0.337 local terms energy: -444.504301 where: bonds (distance) C4'-P energy: -85.649 bonds (distance) P-C4' energy: -77.144 flat angles C4'-P-C4' energy: -97.681 flat angles P-C4'-P energy: -62.247 tors. eta vs tors. theta energy: -121.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1256.950243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.950243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.950243 (E_RNA) where: Base-Base interactions energy: -858.834 where: short stacking energy: -373.639 Base-Backbone interact. energy: 0.238 local terms energy: -398.354343 where: bonds (distance) C4'-P energy: -84.296 bonds (distance) P-C4' energy: -67.145 flat angles C4'-P-C4' energy: -91.818 flat angles P-C4'-P energy: -50.406 tors. eta vs tors. theta energy: -104.688 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: 1 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1252.371928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.371928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.371928 (E_RNA) where: Base-Base interactions energy: -870.358 where: short stacking energy: -354.823 Base-Backbone interact. energy: -1.710 local terms energy: -380.304556 where: bonds (distance) C4'-P energy: -70.182 bonds (distance) P-C4' energy: -85.299 flat angles C4'-P-C4' energy: -83.211 flat angles P-C4'-P energy: -49.132 tors. eta vs tors. theta energy: -92.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1116.425260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.425260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.425260 (E_RNA) where: Base-Base interactions energy: -729.036 where: short stacking energy: -337.878 Base-Backbone interact. energy: -0.294 local terms energy: -387.096031 where: bonds (distance) C4'-P energy: -75.143 bonds (distance) P-C4' energy: -81.040 flat angles C4'-P-C4' energy: -86.634 flat angles P-C4'-P energy: -59.374 tors. eta vs tors. theta energy: -84.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1009.781021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.781021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.781021 (E_RNA) where: Base-Base interactions energy: -658.637 where: short stacking energy: -299.093 Base-Backbone interact. energy: -0.818 local terms energy: -350.325345 where: bonds (distance) C4'-P energy: -77.365 bonds (distance) P-C4' energy: -90.691 flat angles C4'-P-C4' energy: -62.302 flat angles P-C4'-P energy: -42.364 tors. eta vs tors. theta energy: -77.602 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: 9 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -786.819598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.819598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.819598 (E_RNA) where: Base-Base interactions energy: -493.089 where: short stacking energy: -230.693 Base-Backbone interact. energy: 1.668 local terms energy: -295.399543 where: bonds (distance) C4'-P energy: -82.618 bonds (distance) P-C4' energy: -64.939 flat angles C4'-P-C4' energy: -66.906 flat angles P-C4'-P energy: -47.971 tors. eta vs tors. theta energy: -32.965 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: 3 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -752.221033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.221033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.221033 (E_RNA) where: Base-Base interactions energy: -449.800 where: short stacking energy: -248.038 Base-Backbone interact. energy: -0.777 local terms energy: -301.644158 where: bonds (distance) C4'-P energy: -61.746 bonds (distance) P-C4' energy: -73.542 flat angles C4'-P-C4' energy: -80.220 flat angles P-C4'-P energy: -46.250 tors. eta vs tors. theta energy: -39.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -575.280740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.280740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.280740 (E_RNA) where: Base-Base interactions energy: -318.542 where: short stacking energy: -167.844 Base-Backbone interact. energy: 2.687 local terms energy: -259.426381 where: bonds (distance) C4'-P energy: -60.018 bonds (distance) P-C4' energy: -76.191 flat angles C4'-P-C4' energy: -61.221 flat angles P-C4'-P energy: -43.439 tors. eta vs tors. theta energy: -18.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -440.899511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.899511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.899511 (E_RNA) where: Base-Base interactions energy: -210.721 where: short stacking energy: -151.743 Base-Backbone interact. energy: -1.386 local terms energy: -228.792525 where: bonds (distance) C4'-P energy: -56.808 bonds (distance) P-C4' energy: -62.213 flat angles C4'-P-C4' energy: -60.861 flat angles P-C4'-P energy: -39.223 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: 1, replica: 8 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1443.061975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.061975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.061975 (E_RNA) where: Base-Base interactions energy: -979.599 where: short stacking energy: -419.796 Base-Backbone interact. energy: -0.954 local terms energy: -462.509279 where: bonds (distance) C4'-P energy: -89.944 bonds (distance) P-C4' energy: -85.931 flat angles C4'-P-C4' energy: -97.132 flat angles P-C4'-P energy: -67.848 tors. eta vs tors. theta energy: -121.654 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: 10 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1362.669747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.669747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.669747 (E_RNA) where: Base-Base interactions energy: -933.907 where: short stacking energy: -410.239 Base-Backbone interact. energy: -1.586 local terms energy: -427.176087 where: bonds (distance) C4'-P energy: -85.513 bonds (distance) P-C4' energy: -72.674 flat angles C4'-P-C4' energy: -91.075 flat angles P-C4'-P energy: -58.591 tors. eta vs tors. theta energy: -119.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1290.241774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.241774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.241774 (E_RNA) where: Base-Base interactions energy: -895.257 where: short stacking energy: -386.225 Base-Backbone interact. energy: -2.199 local terms energy: -392.786213 where: bonds (distance) C4'-P energy: -68.647 bonds (distance) P-C4' energy: -80.329 flat angles C4'-P-C4' energy: -97.368 flat angles P-C4'-P energy: -51.912 tors. eta vs tors. theta energy: -94.531 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: 7 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1213.263832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.263832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.263832 (E_RNA) where: Base-Base interactions energy: -843.509 where: short stacking energy: -368.986 Base-Backbone interact. energy: -7.055 local terms energy: -362.699619 where: bonds (distance) C4'-P energy: -63.720 bonds (distance) P-C4' energy: -78.981 flat angles C4'-P-C4' energy: -68.928 flat angles P-C4'-P energy: -57.269 tors. eta vs tors. theta energy: -93.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1100.104150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.104150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.104150 (E_RNA) where: Base-Base interactions energy: -724.489 where: short stacking energy: -362.883 Base-Backbone interact. energy: -1.316 local terms energy: -374.299508 where: bonds (distance) C4'-P energy: -67.715 bonds (distance) P-C4' energy: -77.069 flat angles C4'-P-C4' energy: -87.264 flat angles P-C4'-P energy: -55.720 tors. eta vs tors. theta energy: -86.532 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: 5 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1016.959986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.959986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.959986 (E_RNA) where: Base-Base interactions energy: -671.153 where: short stacking energy: -314.173 Base-Backbone interact. energy: 1.209 local terms energy: -347.015940 where: bonds (distance) C4'-P energy: -79.161 bonds (distance) P-C4' energy: -74.323 flat angles C4'-P-C4' energy: -79.335 flat angles P-C4'-P energy: -45.091 tors. eta vs tors. theta energy: -69.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -794.203803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.203803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.203803 (E_RNA) where: Base-Base interactions energy: -515.557 where: short stacking energy: -260.683 Base-Backbone interact. energy: -0.672 local terms energy: -277.974677 where: bonds (distance) C4'-P energy: -63.128 bonds (distance) P-C4' energy: -73.738 flat angles C4'-P-C4' energy: -68.189 flat angles P-C4'-P energy: -30.703 tors. eta vs tors. theta energy: -42.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -712.007195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.007195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.007195 (E_RNA) where: Base-Base interactions energy: -417.344 where: short stacking energy: -231.827 Base-Backbone interact. energy: 2.571 local terms energy: -297.234254 where: bonds (distance) C4'-P energy: -70.820 bonds (distance) P-C4' energy: -69.494 flat angles C4'-P-C4' energy: -73.334 flat angles P-C4'-P energy: -52.413 tors. eta vs tors. theta energy: -31.174 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: 2 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -587.721130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.721130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.721130 (E_RNA) where: Base-Base interactions energy: -328.554 where: short stacking energy: -167.499 Base-Backbone interact. energy: 1.772 local terms energy: -260.938456 where: bonds (distance) C4'-P energy: -59.039 bonds (distance) P-C4' energy: -73.257 flat angles C4'-P-C4' energy: -70.935 flat angles P-C4'-P energy: -36.713 tors. eta vs tors. theta energy: -20.995 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: 4 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -412.201142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.201142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.201142 (E_RNA) where: Base-Base interactions energy: -174.453 where: short stacking energy: -122.021 Base-Backbone interact. energy: -0.297 local terms energy: -237.451555 where: bonds (distance) C4'-P energy: -67.120 bonds (distance) P-C4' energy: -70.479 flat angles C4'-P-C4' energy: -51.163 flat angles P-C4'-P energy: -48.131 tors. eta vs tors. theta energy: -0.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1448.701409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.701409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.701409 (E_RNA) where: Base-Base interactions energy: -1014.538 where: short stacking energy: -428.959 Base-Backbone interact. energy: -4.356 local terms energy: -429.806886 where: bonds (distance) C4'-P energy: -90.508 bonds (distance) P-C4' energy: -79.877 flat angles C4'-P-C4' energy: -94.805 flat angles P-C4'-P energy: -49.672 tors. eta vs tors. theta energy: -114.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1363.561985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.561985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.561985 (E_RNA) where: Base-Base interactions energy: -937.764 where: short stacking energy: -411.130 Base-Backbone interact. energy: 0.886 local terms energy: -426.684268 where: bonds (distance) C4'-P energy: -74.512 bonds (distance) P-C4' energy: -82.584 flat angles C4'-P-C4' energy: -100.511 flat angles P-C4'-P energy: -55.952 tors. eta vs tors. theta energy: -113.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1279.269913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.269913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.269913 (E_RNA) where: Base-Base interactions energy: -868.770 where: short stacking energy: -389.551 Base-Backbone interact. energy: -2.243 local terms energy: -408.256923 where: bonds (distance) C4'-P energy: -86.570 bonds (distance) P-C4' energy: -81.536 flat angles C4'-P-C4' energy: -85.468 flat angles P-C4'-P energy: -52.563 tors. eta vs tors. theta energy: -102.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1159.626800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.626800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.626800 (E_RNA) where: Base-Base interactions energy: -754.260 where: short stacking energy: -338.572 Base-Backbone interact. energy: 0.129 local terms energy: -405.495520 where: bonds (distance) C4'-P energy: -81.372 bonds (distance) P-C4' energy: -80.129 flat angles C4'-P-C4' energy: -102.168 flat angles P-C4'-P energy: -57.494 tors. eta vs tors. theta energy: -84.332 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: 6 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1104.336374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.336374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.336374 (E_RNA) where: Base-Base interactions energy: -730.598 where: short stacking energy: -334.141 Base-Backbone interact. energy: -3.620 local terms energy: -370.118081 where: bonds (distance) C4'-P energy: -64.883 bonds (distance) P-C4' energy: -84.624 flat angles C4'-P-C4' energy: -74.129 flat angles P-C4'-P energy: -64.587 tors. eta vs tors. theta energy: -81.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1026.423976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.423976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.423976 (E_RNA) where: Base-Base interactions energy: -692.421 where: short stacking energy: -310.498 Base-Backbone interact. energy: -1.180 local terms energy: -332.822685 where: bonds (distance) C4'-P energy: -71.294 bonds (distance) P-C4' energy: -79.211 flat angles C4'-P-C4' energy: -73.669 flat angles P-C4'-P energy: -42.818 tors. eta vs tors. theta energy: -65.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -815.464786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.464786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.464786 (E_RNA) where: Base-Base interactions energy: -502.579 where: short stacking energy: -244.009 Base-Backbone interact. energy: -1.762 local terms energy: -311.124319 where: bonds (distance) C4'-P energy: -74.316 bonds (distance) P-C4' energy: -77.059 flat angles C4'-P-C4' energy: -61.679 flat angles P-C4'-P energy: -57.499 tors. eta vs tors. theta energy: -40.571 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: 2 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -648.089401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.089401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.089401 (E_RNA) where: Base-Base interactions energy: -357.276 where: short stacking energy: -203.158 Base-Backbone interact. energy: 3.344 local terms energy: -294.157592 where: bonds (distance) C4'-P energy: -68.677 bonds (distance) P-C4' energy: -78.719 flat angles C4'-P-C4' energy: -72.056 flat angles P-C4'-P energy: -52.249 tors. eta vs tors. theta energy: -22.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -720.755886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.755886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.755886 (E_RNA) where: Base-Base interactions energy: -414.395 where: short stacking energy: -224.965 Base-Backbone interact. energy: -0.507 local terms energy: -305.854144 where: bonds (distance) C4'-P energy: -76.596 bonds (distance) P-C4' energy: -82.796 flat angles C4'-P-C4' energy: -67.378 flat angles P-C4'-P energy: -44.043 tors. eta vs tors. theta energy: -35.040 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: 4 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -407.581222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.581222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.581222 (E_RNA) where: Base-Base interactions energy: -187.694 where: short stacking energy: -115.952 Base-Backbone interact. energy: 3.878 local terms energy: -223.765325 where: bonds (distance) C4'-P energy: -55.443 bonds (distance) P-C4' energy: -77.323 flat angles C4'-P-C4' energy: -64.990 flat angles P-C4'-P energy: -29.127 tors. eta vs tors. theta energy: 3.117 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: 42 Temperature: 0.900000 Total energy: -1462.082568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.082568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.082568 (E_RNA) where: Base-Base interactions energy: -1010.667 where: short stacking energy: -428.209 Base-Backbone interact. energy: 0.989 local terms energy: -452.404854 where: bonds (distance) C4'-P energy: -87.047 bonds (distance) P-C4' energy: -89.807 flat angles C4'-P-C4' energy: -88.370 flat angles P-C4'-P energy: -64.865 tors. eta vs tors. theta energy: -122.316 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: 10 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1393.803055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.803055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.803055 (E_RNA) where: Base-Base interactions energy: -970.304 where: short stacking energy: -402.925 Base-Backbone interact. energy: -0.983 local terms energy: -422.515660 where: bonds (distance) C4'-P energy: -85.849 bonds (distance) P-C4' energy: -75.494 flat angles C4'-P-C4' energy: -86.644 flat angles P-C4'-P energy: -58.954 tors. eta vs tors. theta energy: -115.574 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: 1 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1297.917993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.917993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.917993 (E_RNA) where: Base-Base interactions energy: -898.197 where: short stacking energy: -374.328 Base-Backbone interact. energy: -2.905 local terms energy: -396.815769 where: bonds (distance) C4'-P energy: -69.015 bonds (distance) P-C4' energy: -75.554 flat angles C4'-P-C4' energy: -93.930 flat angles P-C4'-P energy: -64.165 tors. eta vs tors. theta energy: -94.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1166.494522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.494522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.494522 (E_RNA) where: Base-Base interactions energy: -772.253 where: short stacking energy: -344.499 Base-Backbone interact. energy: -1.257 local terms energy: -392.984023 where: bonds (distance) C4'-P energy: -83.756 bonds (distance) P-C4' energy: -68.317 flat angles C4'-P-C4' energy: -90.087 flat angles P-C4'-P energy: -63.111 tors. eta vs tors. theta energy: -87.712 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: 42 Temperature: 1.100000 Total energy: -1098.972217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.972217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.972217 (E_RNA) where: Base-Base interactions energy: -700.432 where: short stacking energy: -338.253 Base-Backbone interact. energy: -1.294 local terms energy: -397.247110 where: bonds (distance) C4'-P energy: -70.432 bonds (distance) P-C4' energy: -89.473 flat angles C4'-P-C4' energy: -80.740 flat angles P-C4'-P energy: -66.701 tors. eta vs tors. theta energy: -89.901 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: 6 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1069.079065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.079065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.079065 (E_RNA) where: Base-Base interactions energy: -714.130 where: short stacking energy: -313.704 Base-Backbone interact. energy: -1.888 local terms energy: -353.061702 where: bonds (distance) C4'-P energy: -73.180 bonds (distance) P-C4' energy: -63.198 flat angles C4'-P-C4' energy: -85.983 flat angles P-C4'-P energy: -56.956 tors. eta vs tors. theta energy: -73.744 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: 9 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -792.755491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.755491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.755491 (E_RNA) where: Base-Base interactions energy: -488.994 where: short stacking energy: -241.688 Base-Backbone interact. energy: -2.041 local terms energy: -301.721177 where: bonds (distance) C4'-P energy: -62.132 bonds (distance) P-C4' energy: -74.299 flat angles C4'-P-C4' energy: -73.077 flat angles P-C4'-P energy: -45.097 tors. eta vs tors. theta energy: -47.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -690.969624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.969624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.969624 (E_RNA) where: Base-Base interactions energy: -404.462 where: short stacking energy: -184.506 Base-Backbone interact. energy: -1.771 local terms energy: -284.736398 where: bonds (distance) C4'-P energy: -72.261 bonds (distance) P-C4' energy: -75.500 flat angles C4'-P-C4' energy: -72.013 flat angles P-C4'-P energy: -42.818 tors. eta vs tors. theta energy: -22.145 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: 3 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -636.091429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.091429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.091429 (E_RNA) where: Base-Base interactions energy: -387.664 where: short stacking energy: -185.366 Base-Backbone interact. energy: -2.806 local terms energy: -245.620754 where: bonds (distance) C4'-P energy: -63.765 bonds (distance) P-C4' energy: -61.651 flat angles C4'-P-C4' energy: -57.934 flat angles P-C4'-P energy: -33.784 tors. eta vs tors. theta energy: -28.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -429.528303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.528303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.528303 (E_RNA) where: Base-Base interactions energy: -219.280 where: short stacking energy: -128.952 Base-Backbone interact. energy: -1.799 local terms energy: -208.449117 where: bonds (distance) C4'-P energy: -59.183 bonds (distance) P-C4' energy: -71.864 flat angles C4'-P-C4' energy: -47.452 flat angles P-C4'-P energy: -37.008 tors. eta vs tors. theta energy: 7.058 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: 8 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1465.976168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.976168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.976168 (E_RNA) where: Base-Base interactions energy: -1023.959 where: short stacking energy: -428.015 Base-Backbone interact. energy: -2.534 local terms energy: -439.484097 where: bonds (distance) C4'-P energy: -84.429 bonds (distance) P-C4' energy: -84.631 flat angles C4'-P-C4' energy: -92.848 flat angles P-C4'-P energy: -60.445 tors. eta vs tors. theta energy: -117.131 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: 2, replica: 10 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1374.649265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.649265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.649265 (E_RNA) where: Base-Base interactions energy: -946.839 where: short stacking energy: -422.035 Base-Backbone interact. energy: -0.334 local terms energy: -427.475634 where: bonds (distance) C4'-P energy: -83.216 bonds (distance) P-C4' energy: -82.142 flat angles C4'-P-C4' energy: -92.427 flat angles P-C4'-P energy: -55.138 tors. eta vs tors. theta energy: -114.553 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: 3, replica: 1 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1305.695985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.695985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.695985 (E_RNA) where: Base-Base interactions energy: -915.522 where: short stacking energy: -404.518 Base-Backbone interact. energy: -1.893 local terms energy: -388.280338 where: bonds (distance) C4'-P energy: -72.933 bonds (distance) P-C4' energy: -78.841 flat angles C4'-P-C4' energy: -79.168 flat angles P-C4'-P energy: -59.774 tors. eta vs tors. theta energy: -97.565 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: 4, replica: 7 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1190.426475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.426475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.426475 (E_RNA) where: Base-Base interactions energy: -815.918 where: short stacking energy: -364.734 Base-Backbone interact. energy: -1.477 local terms energy: -373.032189 where: bonds (distance) C4'-P energy: -78.391 bonds (distance) P-C4' energy: -78.230 flat angles C4'-P-C4' energy: -71.888 flat angles P-C4'-P energy: -54.555 tors. eta vs tors. theta energy: -89.967 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: 43 Temperature: 1.100000 Total energy: -1039.895977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.895977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.895977 (E_RNA) where: Base-Base interactions energy: -695.797 where: short stacking energy: -306.870 Base-Backbone interact. energy: -1.094 local terms energy: -343.004329 where: bonds (distance) C4'-P energy: -75.888 bonds (distance) P-C4' energy: -70.274 flat angles C4'-P-C4' energy: -77.000 flat angles P-C4'-P energy: -43.308 tors. eta vs tors. theta energy: -76.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1085.139577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.139577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.139577 (E_RNA) where: Base-Base interactions energy: -715.346 where: short stacking energy: -336.719 Base-Backbone interact. energy: -3.748 local terms energy: -366.045656 where: bonds (distance) C4'-P energy: -70.951 bonds (distance) P-C4' energy: -88.522 flat angles C4'-P-C4' energy: -78.228 flat angles P-C4'-P energy: -53.875 tors. eta vs tors. theta energy: -74.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -775.001018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.001018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.001018 (E_RNA) where: Base-Base interactions energy: -455.650 where: short stacking energy: -238.611 Base-Backbone interact. energy: 0.124 local terms energy: -319.475003 where: bonds (distance) C4'-P energy: -71.082 bonds (distance) P-C4' energy: -76.839 flat angles C4'-P-C4' energy: -81.088 flat angles P-C4'-P energy: -40.943 tors. eta vs tors. theta energy: -49.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -701.818690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.818690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.818690 (E_RNA) where: Base-Base interactions energy: -415.723 where: short stacking energy: -206.266 Base-Backbone interact. energy: -0.054 local terms energy: -286.041081 where: bonds (distance) C4'-P energy: -62.951 bonds (distance) P-C4' energy: -75.993 flat angles C4'-P-C4' energy: -65.326 flat angles P-C4'-P energy: -48.051 tors. eta vs tors. theta energy: -33.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -530.056935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.056935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.056935 (E_RNA) where: Base-Base interactions energy: -278.371 where: short stacking energy: -158.173 Base-Backbone interact. energy: -2.704 local terms energy: -248.981801 where: bonds (distance) C4'-P energy: -75.355 bonds (distance) P-C4' energy: -68.867 flat angles C4'-P-C4' energy: -51.271 flat angles P-C4'-P energy: -37.325 tors. eta vs tors. theta energy: -16.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -422.906967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.906967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.906967 (E_RNA) where: Base-Base interactions energy: -191.100 where: short stacking energy: -113.769 Base-Backbone interact. energy: -1.031 local terms energy: -230.776453 where: bonds (distance) C4'-P energy: -64.940 bonds (distance) P-C4' energy: -70.335 flat angles C4'-P-C4' energy: -66.093 flat angles P-C4'-P energy: -41.277 tors. eta vs tors. theta energy: 11.869 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: 1, replica: 8 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1454.750080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.750080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.750080 (E_RNA) where: Base-Base interactions energy: -1009.224 where: short stacking energy: -415.348 Base-Backbone interact. energy: -1.117 local terms energy: -444.408458 where: bonds (distance) C4'-P energy: -79.722 bonds (distance) P-C4' energy: -84.708 flat angles C4'-P-C4' energy: -101.325 flat angles P-C4'-P energy: -64.522 tors. eta vs tors. theta energy: -114.132 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: 10 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1375.241064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.241064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.241064 (E_RNA) where: Base-Base interactions energy: -949.904 where: short stacking energy: -422.325 Base-Backbone interact. energy: 0.062 local terms energy: -425.399569 where: bonds (distance) C4'-P energy: -66.549 bonds (distance) P-C4' energy: -91.521 flat angles C4'-P-C4' energy: -91.044 flat angles P-C4'-P energy: -59.009 tors. eta vs tors. theta energy: -117.277 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: 3, replica: 1 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1314.908619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.908619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.908619 (E_RNA) where: Base-Base interactions energy: -912.852 where: short stacking energy: -382.187 Base-Backbone interact. energy: -2.226 local terms energy: -399.830171 where: bonds (distance) C4'-P energy: -60.887 bonds (distance) P-C4' energy: -80.392 flat angles C4'-P-C4' energy: -98.991 flat angles P-C4'-P energy: -60.992 tors. eta vs tors. theta energy: -98.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1178.001363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.001363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.001363 (E_RNA) where: Base-Base interactions energy: -799.173 where: short stacking energy: -321.070 Base-Backbone interact. energy: -0.706 local terms energy: -378.122502 where: bonds (distance) C4'-P energy: -85.277 bonds (distance) P-C4' energy: -81.152 flat angles C4'-P-C4' energy: -80.104 flat angles P-C4'-P energy: -51.857 tors. eta vs tors. theta energy: -79.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1159.035383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.035383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.035383 (E_RNA) where: Base-Base interactions energy: -781.667 where: short stacking energy: -358.782 Base-Backbone interact. energy: -2.036 local terms energy: -375.332550 where: bonds (distance) C4'-P energy: -79.535 bonds (distance) P-C4' energy: -74.035 flat angles C4'-P-C4' energy: -77.259 flat angles P-C4'-P energy: -55.332 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: 6, replica: 5 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1081.311104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.311104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.311104 (E_RNA) where: Base-Base interactions energy: -731.933 where: short stacking energy: -325.529 Base-Backbone interact. energy: -4.181 local terms energy: -345.197086 where: bonds (distance) C4'-P energy: -58.208 bonds (distance) P-C4' energy: -78.166 flat angles C4'-P-C4' energy: -80.469 flat angles P-C4'-P energy: -48.111 tors. eta vs tors. theta energy: -80.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -778.597256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.597256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.597256 (E_RNA) where: Base-Base interactions energy: -468.327 where: short stacking energy: -237.536 Base-Backbone interact. energy: 1.269 local terms energy: -311.539035 where: bonds (distance) C4'-P energy: -69.449 bonds (distance) P-C4' energy: -76.980 flat angles C4'-P-C4' energy: -83.189 flat angles P-C4'-P energy: -39.736 tors. eta vs tors. theta energy: -42.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -782.998216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.998216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.998216 (E_RNA) where: Base-Base interactions energy: -496.008 where: short stacking energy: -241.933 Base-Backbone interact. energy: 3.744 local terms energy: -290.734684 where: bonds (distance) C4'-P energy: -71.017 bonds (distance) P-C4' energy: -78.421 flat angles C4'-P-C4' energy: -68.811 flat angles P-C4'-P energy: -26.024 tors. eta vs tors. theta energy: -46.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -508.944354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.944354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.944354 (E_RNA) where: Base-Base interactions energy: -276.239 where: short stacking energy: -160.227 Base-Backbone interact. energy: 0.353 local terms energy: -233.058960 where: bonds (distance) C4'-P energy: -66.955 bonds (distance) P-C4' energy: -71.585 flat angles C4'-P-C4' energy: -43.239 flat angles P-C4'-P energy: -44.517 tors. eta vs tors. theta energy: -6.763 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: 3 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -445.696948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.696948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.696948 (E_RNA) where: Base-Base interactions energy: -232.769 where: short stacking energy: -99.917 Base-Backbone interact. energy: 0.400 local terms energy: -213.327896 where: bonds (distance) C4'-P energy: -50.109 bonds (distance) P-C4' energy: -77.679 flat angles C4'-P-C4' energy: -68.163 flat angles P-C4'-P energy: -28.853 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: 8 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1467.239280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.239280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.239280 (E_RNA) where: Base-Base interactions energy: -1037.442 where: short stacking energy: -443.570 Base-Backbone interact. energy: -3.273 local terms energy: -426.524988 where: bonds (distance) C4'-P energy: -77.846 bonds (distance) P-C4' energy: -81.387 flat angles C4'-P-C4' energy: -86.664 flat angles P-C4'-P energy: -62.715 tors. eta vs tors. theta energy: -117.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1378.386540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.386540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.386540 (E_RNA) where: Base-Base interactions energy: -951.752 where: short stacking energy: -394.893 Base-Backbone interact. energy: -0.261 local terms energy: -426.373387 where: bonds (distance) C4'-P energy: -87.356 bonds (distance) P-C4' energy: -70.991 flat angles C4'-P-C4' energy: -96.941 flat angles P-C4'-P energy: -52.923 tors. eta vs tors. theta energy: -118.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1301.213944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.213944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.213944 (E_RNA) where: Base-Base interactions energy: -888.860 where: short stacking energy: -396.365 Base-Backbone interact. energy: -0.360 local terms energy: -411.993342 where: bonds (distance) C4'-P energy: -79.517 bonds (distance) P-C4' energy: -80.980 flat angles C4'-P-C4' energy: -95.631 flat angles P-C4'-P energy: -58.674 tors. eta vs tors. theta energy: -97.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1161.240200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.240200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.240200 (E_RNA) where: Base-Base interactions energy: -786.147 where: short stacking energy: -327.610 Base-Backbone interact. energy: -0.598 local terms energy: -374.495286 where: bonds (distance) C4'-P energy: -74.271 bonds (distance) P-C4' energy: -79.287 flat angles C4'-P-C4' energy: -84.423 flat angles P-C4'-P energy: -51.528 tors. eta vs tors. theta energy: -84.988 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: 5, replica: 6 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1149.974781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.974781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.974781 (E_RNA) where: Base-Base interactions energy: -775.379 where: short stacking energy: -336.090 Base-Backbone interact. energy: -1.726 local terms energy: -372.869076 where: bonds (distance) C4'-P energy: -72.228 bonds (distance) P-C4' energy: -80.820 flat angles C4'-P-C4' energy: -78.005 flat angles P-C4'-P energy: -58.776 tors. eta vs tors. theta energy: -83.041 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: 5 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1096.428744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.428744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.428744 (E_RNA) where: Base-Base interactions energy: -730.901 where: short stacking energy: -327.326 Base-Backbone interact. energy: -2.123 local terms energy: -363.404338 where: bonds (distance) C4'-P energy: -79.973 bonds (distance) P-C4' energy: -76.578 flat angles C4'-P-C4' energy: -76.027 flat angles P-C4'-P energy: -52.295 tors. eta vs tors. theta energy: -78.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -822.857067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.857067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.857067 (E_RNA) where: Base-Base interactions energy: -503.589 where: short stacking energy: -244.734 Base-Backbone interact. energy: -0.351 local terms energy: -318.916899 where: bonds (distance) C4'-P energy: -72.547 bonds (distance) P-C4' energy: -72.810 flat angles C4'-P-C4' energy: -85.851 flat angles P-C4'-P energy: -39.510 tors. eta vs tors. theta energy: -48.199 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: 8, replica: 2 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -826.399964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.399964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.399964 (E_RNA) where: Base-Base interactions energy: -522.760 where: short stacking energy: -243.840 Base-Backbone interact. energy: -1.129 local terms energy: -302.510739 where: bonds (distance) C4'-P energy: -67.751 bonds (distance) P-C4' energy: -61.363 flat angles C4'-P-C4' energy: -80.775 flat angles P-C4'-P energy: -48.613 tors. eta vs tors. theta energy: -44.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -501.401357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.401357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.401357 (E_RNA) where: Base-Base interactions energy: -244.634 where: short stacking energy: -158.943 Base-Backbone interact. energy: -0.730 local terms energy: -256.037665 where: bonds (distance) C4'-P energy: -68.296 bonds (distance) P-C4' energy: -81.112 flat angles C4'-P-C4' energy: -72.013 flat angles P-C4'-P energy: -31.395 tors. eta vs tors. theta energy: -3.222 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: 3 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -471.742803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.742803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.742803 (E_RNA) where: Base-Base interactions energy: -244.765 where: short stacking energy: -144.627 Base-Backbone interact. energy: -1.183 local terms energy: -225.794324 where: bonds (distance) C4'-P energy: -52.981 bonds (distance) P-C4' energy: -59.206 flat angles C4'-P-C4' energy: -66.350 flat angles P-C4'-P energy: -48.885 tors. eta vs tors. theta energy: 1.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1407.609919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.609919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.609919 (E_RNA) where: Base-Base interactions energy: -971.348 where: short stacking energy: -442.784 Base-Backbone interact. energy: -0.918 local terms energy: -435.343637 where: bonds (distance) C4'-P energy: -80.479 bonds (distance) P-C4' energy: -79.930 flat angles C4'-P-C4' energy: -91.672 flat angles P-C4'-P energy: -52.975 tors. eta vs tors. theta energy: -130.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1424.238370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.238370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.238370 (E_RNA) where: Base-Base interactions energy: -1005.358 where: short stacking energy: -411.484 Base-Backbone interact. energy: -1.940 local terms energy: -416.939744 where: bonds (distance) C4'-P energy: -75.600 bonds (distance) P-C4' energy: -87.650 flat angles C4'-P-C4' energy: -95.133 flat angles P-C4'-P energy: -47.646 tors. eta vs tors. theta energy: -110.912 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: 46 Temperature: 1.000000 Total energy: -1333.515626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.515626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.515626 (E_RNA) where: Base-Base interactions energy: -916.497 where: short stacking energy: -391.126 Base-Backbone interact. energy: -1.091 local terms energy: -415.927803 where: bonds (distance) C4'-P energy: -73.108 bonds (distance) P-C4' energy: -81.739 flat angles C4'-P-C4' energy: -97.337 flat angles P-C4'-P energy: -63.844 tors. eta vs tors. theta energy: -99.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1166.784814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.784814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.784814 (E_RNA) where: Base-Base interactions energy: -768.229 where: short stacking energy: -350.738 Base-Backbone interact. energy: -1.862 local terms energy: -396.693333 where: bonds (distance) C4'-P energy: -70.103 bonds (distance) P-C4' energy: -80.492 flat angles C4'-P-C4' energy: -99.171 flat angles P-C4'-P energy: -57.710 tors. eta vs tors. theta energy: -89.217 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: 6 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1156.927930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.927930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.927930 (E_RNA) where: Base-Base interactions energy: -787.272 where: short stacking energy: -357.391 Base-Backbone interact. energy: 1.422 local terms energy: -371.077525 where: bonds (distance) C4'-P energy: -68.581 bonds (distance) P-C4' energy: -80.859 flat angles C4'-P-C4' energy: -79.782 flat angles P-C4'-P energy: -55.651 tors. eta vs tors. theta energy: -86.205 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: 5 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1079.963731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.963731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.963731 (E_RNA) where: Base-Base interactions energy: -726.417 where: short stacking energy: -326.166 Base-Backbone interact. energy: 1.173 local terms energy: -354.720000 where: bonds (distance) C4'-P energy: -72.740 bonds (distance) P-C4' energy: -75.841 flat angles C4'-P-C4' energy: -75.812 flat angles P-C4'-P energy: -46.874 tors. eta vs tors. theta energy: -83.452 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: 7, replica: 2 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -871.950726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.950726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.950726 (E_RNA) where: Base-Base interactions energy: -565.548 where: short stacking energy: -255.396 Base-Backbone interact. energy: 0.300 local terms energy: -306.702772 where: bonds (distance) C4'-P energy: -69.675 bonds (distance) P-C4' energy: -71.169 flat angles C4'-P-C4' energy: -69.836 flat angles P-C4'-P energy: -45.990 tors. eta vs tors. theta energy: -50.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -732.741266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.741266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.741266 (E_RNA) where: Base-Base interactions energy: -434.300 where: short stacking energy: -234.277 Base-Backbone interact. energy: 2.243 local terms energy: -300.684653 where: bonds (distance) C4'-P energy: -67.676 bonds (distance) P-C4' energy: -80.469 flat angles C4'-P-C4' energy: -64.518 flat angles P-C4'-P energy: -43.932 tors. eta vs tors. theta energy: -44.090 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: 4 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -456.102795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.102795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.102795 (E_RNA) where: Base-Base interactions energy: -219.247 where: short stacking energy: -144.043 Base-Backbone interact. energy: -1.909 local terms energy: -234.946872 where: bonds (distance) C4'-P energy: -68.240 bonds (distance) P-C4' energy: -55.426 flat angles C4'-P-C4' energy: -74.565 flat angles P-C4'-P energy: -27.899 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: 10, replica: 3 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -497.284668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.284668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.284668 (E_RNA) where: Base-Base interactions energy: -245.850 where: short stacking energy: -170.998 Base-Backbone interact. energy: 2.376 local terms energy: -253.811216 where: bonds (distance) C4'-P energy: -70.626 bonds (distance) P-C4' energy: -55.785 flat angles C4'-P-C4' energy: -75.686 flat angles P-C4'-P energy: -35.646 tors. eta vs tors. theta energy: -16.068 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: 1, replica: 10 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1452.880467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.880467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.880467 (E_RNA) where: Base-Base interactions energy: -992.278 where: short stacking energy: -428.968 Base-Backbone interact. energy: -0.969 local terms energy: -459.633650 where: bonds (distance) C4'-P energy: -89.523 bonds (distance) P-C4' energy: -95.287 flat angles C4'-P-C4' energy: -85.571 flat angles P-C4'-P energy: -66.749 tors. eta vs tors. theta energy: -122.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1413.629484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.629484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.629484 (E_RNA) where: Base-Base interactions energy: -988.423 where: short stacking energy: -433.981 Base-Backbone interact. energy: -3.630 local terms energy: -421.576284 where: bonds (distance) C4'-P energy: -69.007 bonds (distance) P-C4' energy: -76.228 flat angles C4'-P-C4' energy: -90.976 flat angles P-C4'-P energy: -72.164 tors. eta vs tors. theta energy: -113.202 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: 47 Temperature: 1.000000 Total energy: -1379.587611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.587611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.587611 (E_RNA) where: Base-Base interactions energy: -956.672 where: short stacking energy: -419.407 Base-Backbone interact. energy: -1.470 local terms energy: -421.446076 where: bonds (distance) C4'-P energy: -77.584 bonds (distance) P-C4' energy: -81.371 flat angles C4'-P-C4' energy: -85.988 flat angles P-C4'-P energy: -61.801 tors. eta vs tors. theta energy: -114.701 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: 6 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1183.760889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.760889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.760889 (E_RNA) where: Base-Base interactions energy: -785.832 where: short stacking energy: -337.870 Base-Backbone interact. energy: -1.402 local terms energy: -396.526352 where: bonds (distance) C4'-P energy: -83.166 bonds (distance) P-C4' energy: -77.163 flat angles C4'-P-C4' energy: -85.725 flat angles P-C4'-P energy: -59.182 tors. eta vs tors. theta energy: -91.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1146.138284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.138284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.138284 (E_RNA) where: Base-Base interactions energy: -760.998 where: short stacking energy: -345.496 Base-Backbone interact. energy: -1.025 local terms energy: -384.115104 where: bonds (distance) C4'-P energy: -71.523 bonds (distance) P-C4' energy: -85.686 flat angles C4'-P-C4' energy: -88.096 flat angles P-C4'-P energy: -49.955 tors. eta vs tors. theta energy: -88.854 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: 5 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1048.499402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.499402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.499402 (E_RNA) where: Base-Base interactions energy: -698.110 where: short stacking energy: -335.748 Base-Backbone interact. energy: -3.047 local terms energy: -347.342641 where: bonds (distance) C4'-P energy: -68.484 bonds (distance) P-C4' energy: -79.464 flat angles C4'-P-C4' energy: -71.146 flat angles P-C4'-P energy: -51.543 tors. eta vs tors. theta energy: -76.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -929.221554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.221554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.221554 (E_RNA) where: Base-Base interactions energy: -610.653 where: short stacking energy: -263.006 Base-Backbone interact. energy: -1.649 local terms energy: -316.920027 where: bonds (distance) C4'-P energy: -65.687 bonds (distance) P-C4' energy: -73.311 flat angles C4'-P-C4' energy: -78.648 flat angles P-C4'-P energy: -42.785 tors. eta vs tors. theta energy: -56.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -729.718040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.718040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.718040 (E_RNA) where: Base-Base interactions energy: -440.121 where: short stacking energy: -237.227 Base-Backbone interact. energy: -3.055 local terms energy: -286.542395 where: bonds (distance) C4'-P energy: -66.580 bonds (distance) P-C4' energy: -75.066 flat angles C4'-P-C4' energy: -68.182 flat angles P-C4'-P energy: -38.915 tors. eta vs tors. theta energy: -37.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -452.496251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.496251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.496251 (E_RNA) where: Base-Base interactions energy: -182.876 where: short stacking energy: -118.821 Base-Backbone interact. energy: -3.478 local terms energy: -266.142773 where: bonds (distance) C4'-P energy: -75.171 bonds (distance) P-C4' energy: -81.355 flat angles C4'-P-C4' energy: -80.553 flat angles P-C4'-P energy: -34.934 tors. eta vs tors. theta energy: 5.869 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: 3 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -495.981150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.981150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.981150 (E_RNA) where: Base-Base interactions energy: -241.743 where: short stacking energy: -151.079 Base-Backbone interact. energy: 2.597 local terms energy: -256.835040 where: bonds (distance) C4'-P energy: -64.192 bonds (distance) P-C4' energy: -66.590 flat angles C4'-P-C4' energy: -62.571 flat angles P-C4'-P energy: -53.341 tors. eta vs tors. theta energy: -10.141 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: 48 Temperature: 0.900000 Total energy: -1461.317276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.317276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.317276 (E_RNA) where: Base-Base interactions energy: -1008.808 where: short stacking energy: -450.676 Base-Backbone interact. energy: -2.830 local terms energy: -449.679533 where: bonds (distance) C4'-P energy: -80.541 bonds (distance) P-C4' energy: -86.209 flat angles C4'-P-C4' energy: -92.251 flat angles P-C4'-P energy: -62.318 tors. eta vs tors. theta energy: -128.361 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: 8 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1409.870796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.870796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.870796 (E_RNA) where: Base-Base interactions energy: -969.931 where: short stacking energy: -420.963 Base-Backbone interact. energy: -2.022 local terms energy: -437.917486 where: bonds (distance) C4'-P energy: -74.843 bonds (distance) P-C4' energy: -86.022 flat angles C4'-P-C4' energy: -91.130 flat angles P-C4'-P energy: -63.607 tors. eta vs tors. theta energy: -122.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1378.066686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.066686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.066686 (E_RNA) where: Base-Base interactions energy: -958.900 where: short stacking energy: -411.786 Base-Backbone interact. energy: 0.442 local terms energy: -419.608426 where: bonds (distance) C4'-P energy: -73.363 bonds (distance) P-C4' energy: -75.170 flat angles C4'-P-C4' energy: -96.812 flat angles P-C4'-P energy: -64.471 tors. eta vs tors. theta energy: -109.793 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: 6 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1207.508862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.508862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.508862 (E_RNA) where: Base-Base interactions energy: -817.031 where: short stacking energy: -353.077 Base-Backbone interact. energy: -0.956 local terms energy: -389.522196 where: bonds (distance) C4'-P energy: -79.162 bonds (distance) P-C4' energy: -80.990 flat angles C4'-P-C4' energy: -78.946 flat angles P-C4'-P energy: -58.193 tors. eta vs tors. theta energy: -92.231 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: 7 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1127.044046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.044046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.044046 (E_RNA) where: Base-Base interactions energy: -756.170 where: short stacking energy: -337.683 Base-Backbone interact. energy: -0.240 local terms energy: -370.633845 where: bonds (distance) C4'-P energy: -71.862 bonds (distance) P-C4' energy: -74.598 flat angles C4'-P-C4' energy: -85.592 flat angles P-C4'-P energy: -66.330 tors. eta vs tors. theta energy: -72.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1054.626885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.626885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.626885 (E_RNA) where: Base-Base interactions energy: -707.909 where: short stacking energy: -335.474 Base-Backbone interact. energy: -1.569 local terms energy: -345.148715 where: bonds (distance) C4'-P energy: -75.386 bonds (distance) P-C4' energy: -75.179 flat angles C4'-P-C4' energy: -71.464 flat angles P-C4'-P energy: -56.409 tors. eta vs tors. theta energy: -66.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -936.280857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.280857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.280857 (E_RNA) where: Base-Base interactions energy: -613.382 where: short stacking energy: -289.850 Base-Backbone interact. energy: -1.436 local terms energy: -321.462993 where: bonds (distance) C4'-P energy: -63.761 bonds (distance) P-C4' energy: -79.177 flat angles C4'-P-C4' energy: -72.851 flat angles P-C4'-P energy: -47.735 tors. eta vs tors. theta energy: -57.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -723.096925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.096925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.096925 (E_RNA) where: Base-Base interactions energy: -447.960 where: short stacking energy: -214.453 Base-Backbone interact. energy: 0.526 local terms energy: -275.662319 where: bonds (distance) C4'-P energy: -74.827 bonds (distance) P-C4' energy: -75.982 flat angles C4'-P-C4' energy: -64.139 flat angles P-C4'-P energy: -49.170 tors. eta vs tors. theta energy: -11.545 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: 3 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -523.284287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.284287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.284287 (E_RNA) where: Base-Base interactions energy: -278.057 where: short stacking energy: -161.134 Base-Backbone interact. energy: -2.306 local terms energy: -242.921295 where: bonds (distance) C4'-P energy: -60.910 bonds (distance) P-C4' energy: -78.886 flat angles C4'-P-C4' energy: -56.574 flat angles P-C4'-P energy: -32.957 tors. eta vs tors. theta energy: -13.594 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: 4 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -439.216952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.216952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.216952 (E_RNA) where: Base-Base interactions energy: -206.252 where: short stacking energy: -135.963 Base-Backbone interact. energy: -0.522 local terms energy: -232.443594 where: bonds (distance) C4'-P energy: -75.499 bonds (distance) P-C4' energy: -68.936 flat angles C4'-P-C4' energy: -50.960 flat angles P-C4'-P energy: -42.437 tors. eta vs tors. theta energy: 5.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1420.444676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.444676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.444676 (E_RNA) where: Base-Base interactions energy: -979.229 where: short stacking energy: -433.602 Base-Backbone interact. energy: -0.115 local terms energy: -441.100167 where: bonds (distance) C4'-P energy: -80.516 bonds (distance) P-C4' energy: -81.232 flat angles C4'-P-C4' energy: -93.404 flat angles P-C4'-P energy: -67.396 tors. eta vs tors. theta energy: -118.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1389.786019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.786019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.786019 (E_RNA) where: Base-Base interactions energy: -957.488 where: short stacking energy: -389.250 Base-Backbone interact. energy: -5.640 local terms energy: -426.657870 where: bonds (distance) C4'-P energy: -85.914 bonds (distance) P-C4' energy: -76.067 flat angles C4'-P-C4' energy: -94.120 flat angles P-C4'-P energy: -60.923 tors. eta vs tors. theta energy: -109.634 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: 3, replica: 8 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1392.021482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.021482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.021482 (E_RNA) where: Base-Base interactions energy: -984.749 where: short stacking energy: -413.622 Base-Backbone interact. energy: -1.826 local terms energy: -405.445957 where: bonds (distance) C4'-P energy: -78.273 bonds (distance) P-C4' energy: -75.080 flat angles C4'-P-C4' energy: -89.376 flat angles P-C4'-P energy: -47.432 tors. eta vs tors. theta energy: -115.285 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: 6 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1202.411549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.411549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.411549 (E_RNA) where: Base-Base interactions energy: -795.156 where: short stacking energy: -350.096 Base-Backbone interact. energy: -1.675 local terms energy: -405.579900 where: bonds (distance) C4'-P energy: -80.136 bonds (distance) P-C4' energy: -84.752 flat angles C4'-P-C4' energy: -86.677 flat angles P-C4'-P energy: -54.903 tors. eta vs tors. theta energy: -99.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1110.100949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.100949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.100949 (E_RNA) where: Base-Base interactions energy: -740.041 where: short stacking energy: -331.166 Base-Backbone interact. energy: 1.222 local terms energy: -371.281300 where: bonds (distance) C4'-P energy: -67.561 bonds (distance) P-C4' energy: -65.687 flat angles C4'-P-C4' energy: -90.206 flat angles P-C4'-P energy: -55.837 tors. eta vs tors. theta energy: -91.990 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: 6, replica: 5 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1058.686223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.686223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.686223 (E_RNA) where: Base-Base interactions energy: -703.647 where: short stacking energy: -329.075 Base-Backbone interact. energy: -1.497 local terms energy: -353.542127 where: bonds (distance) C4'-P energy: -71.078 bonds (distance) P-C4' energy: -71.712 flat angles C4'-P-C4' energy: -83.096 flat angles P-C4'-P energy: -47.110 tors. eta vs tors. theta energy: -80.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -950.132801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.132801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.132801 (E_RNA) where: Base-Base interactions energy: -597.388 where: short stacking energy: -275.804 Base-Backbone interact. energy: -1.009 local terms energy: -351.736208 where: bonds (distance) C4'-P energy: -75.630 bonds (distance) P-C4' energy: -74.325 flat angles C4'-P-C4' energy: -83.124 flat angles P-C4'-P energy: -54.048 tors. eta vs tors. theta energy: -64.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -740.443599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.443599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.443599 (E_RNA) where: Base-Base interactions energy: -442.211 where: short stacking energy: -211.897 Base-Backbone interact. energy: -0.128 local terms energy: -298.104288 where: bonds (distance) C4'-P energy: -64.839 bonds (distance) P-C4' energy: -74.141 flat angles C4'-P-C4' energy: -70.090 flat angles P-C4'-P energy: -55.417 tors. eta vs tors. theta energy: -33.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -535.967777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.967777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.967777 (E_RNA) where: Base-Base interactions energy: -286.985 where: short stacking energy: -161.551 Base-Backbone interact. energy: -1.019 local terms energy: -247.964383 where: bonds (distance) C4'-P energy: -59.782 bonds (distance) P-C4' energy: -66.068 flat angles C4'-P-C4' energy: -73.031 flat angles P-C4'-P energy: -39.960 tors. eta vs tors. theta energy: -9.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -440.307126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.307126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.307126 (E_RNA) where: Base-Base interactions energy: -207.090 where: short stacking energy: -124.635 Base-Backbone interact. energy: 4.769 local terms energy: -237.985974 where: bonds (distance) C4'-P energy: -71.364 bonds (distance) P-C4' energy: -72.069 flat angles C4'-P-C4' energy: -59.179 flat angles P-C4'-P energy: -33.110 tors. eta vs tors. theta energy: -2.264 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: 10 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1421.892835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.892835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.892835 (E_RNA) where: Base-Base interactions energy: -979.588 where: short stacking energy: -423.030 Base-Backbone interact. energy: -0.980 local terms energy: -441.324698 where: bonds (distance) C4'-P energy: -83.402 bonds (distance) P-C4' energy: -88.169 flat angles C4'-P-C4' energy: -92.360 flat angles P-C4'-P energy: -61.358 tors. eta vs tors. theta energy: -116.036 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: 1 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1394.287788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.287788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.287788 (E_RNA) where: Base-Base interactions energy: -985.488 where: short stacking energy: -388.735 Base-Backbone interact. energy: -5.516 local terms energy: -403.282892 where: bonds (distance) C4'-P energy: -74.142 bonds (distance) P-C4' energy: -76.020 flat angles C4'-P-C4' energy: -85.764 flat angles P-C4'-P energy: -60.838 tors. eta vs tors. theta energy: -106.518 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: 3, replica: 8 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1393.754746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.754746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.754746 (E_RNA) where: Base-Base interactions energy: -954.011 where: short stacking energy: -427.005 Base-Backbone interact. energy: -0.779 local terms energy: -438.964542 where: bonds (distance) C4'-P energy: -77.177 bonds (distance) P-C4' energy: -82.458 flat angles C4'-P-C4' energy: -97.893 flat angles P-C4'-P energy: -65.403 tors. eta vs tors. theta energy: -116.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1215.330690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.330690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.330690 (E_RNA) where: Base-Base interactions energy: -827.555 where: short stacking energy: -346.796 Base-Backbone interact. energy: -0.085 local terms energy: -387.690003 where: bonds (distance) C4'-P energy: -76.066 bonds (distance) P-C4' energy: -78.973 flat angles C4'-P-C4' energy: -89.166 flat angles P-C4'-P energy: -56.322 tors. eta vs tors. theta energy: -87.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1110.473467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.473467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.473467 (E_RNA) where: Base-Base interactions energy: -736.284 where: short stacking energy: -351.838 Base-Backbone interact. energy: -1.880 local terms energy: -372.309064 where: bonds (distance) C4'-P energy: -66.876 bonds (distance) P-C4' energy: -84.120 flat angles C4'-P-C4' energy: -89.806 flat angles P-C4'-P energy: -48.888 tors. eta vs tors. theta energy: -82.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1055.461998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.461998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.461998 (E_RNA) where: Base-Base interactions energy: -674.257 where: short stacking energy: -311.600 Base-Backbone interact. energy: -0.012 local terms energy: -381.193133 where: bonds (distance) C4'-P energy: -76.218 bonds (distance) P-C4' energy: -85.399 flat angles C4'-P-C4' energy: -81.418 flat angles P-C4'-P energy: -53.387 tors. eta vs tors. theta energy: -84.771 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: 2 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -878.434128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.434128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.434128 (E_RNA) where: Base-Base interactions energy: -553.088 where: short stacking energy: -222.616 Base-Backbone interact. energy: -1.602 local terms energy: -323.743888 where: bonds (distance) C4'-P energy: -84.138 bonds (distance) P-C4' energy: -75.201 flat angles C4'-P-C4' energy: -67.619 flat angles P-C4'-P energy: -52.138 tors. eta vs tors. theta energy: -44.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -827.652738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.652738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.652738 (E_RNA) where: Base-Base interactions energy: -519.719 where: short stacking energy: -247.688 Base-Backbone interact. energy: 0.069 local terms energy: -308.003203 where: bonds (distance) C4'-P energy: -69.929 bonds (distance) P-C4' energy: -81.914 flat angles C4'-P-C4' energy: -73.953 flat angles P-C4'-P energy: -39.750 tors. eta vs tors. theta energy: -42.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -524.253703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.253703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.253703 (E_RNA) where: Base-Base interactions energy: -257.198 where: short stacking energy: -161.368 Base-Backbone interact. energy: -2.109 local terms energy: -264.946617 where: bonds (distance) C4'-P energy: -68.788 bonds (distance) P-C4' energy: -77.590 flat angles C4'-P-C4' energy: -77.069 flat angles P-C4'-P energy: -33.118 tors. eta vs tors. theta energy: -8.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -447.447121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.447121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.447121 (E_RNA) where: Base-Base interactions energy: -204.154 where: short stacking energy: -161.438 Base-Backbone interact. energy: 0.064 local terms energy: -243.357073 where: bonds (distance) C4'-P energy: -60.804 bonds (distance) P-C4' energy: -81.449 flat angles C4'-P-C4' energy: -69.575 flat angles P-C4'-P energy: -22.466 tors. eta vs tors. theta energy: -9.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1443.750851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.750851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.750851 (E_RNA) where: Base-Base interactions energy: -997.059 where: short stacking energy: -419.428 Base-Backbone interact. energy: -0.008 local terms energy: -446.683910 where: bonds (distance) C4'-P energy: -80.980 bonds (distance) P-C4' energy: -91.460 flat angles C4'-P-C4' energy: -95.700 flat angles P-C4'-P energy: -59.678 tors. eta vs tors. theta energy: -118.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1393.166989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.166989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.166989 (E_RNA) where: Base-Base interactions energy: -978.032 where: short stacking energy: -408.280 Base-Backbone interact. energy: -0.388 local terms energy: -414.747452 where: bonds (distance) C4'-P energy: -82.379 bonds (distance) P-C4' energy: -84.270 flat angles C4'-P-C4' energy: -81.527 flat angles P-C4'-P energy: -55.160 tors. eta vs tors. theta energy: -111.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1378.229998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.229998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.229998 (E_RNA) where: Base-Base interactions energy: -952.062 where: short stacking energy: -411.523 Base-Backbone interact. energy: -2.550 local terms energy: -423.618311 where: bonds (distance) C4'-P energy: -68.717 bonds (distance) P-C4' energy: -90.342 flat angles C4'-P-C4' energy: -94.827 flat angles P-C4'-P energy: -54.494 tors. eta vs tors. theta energy: -115.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1217.265733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.265733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.265733 (E_RNA) where: Base-Base interactions energy: -826.319 where: short stacking energy: -390.895 Base-Backbone interact. energy: -0.517 local terms energy: -390.430379 where: bonds (distance) C4'-P energy: -79.048 bonds (distance) P-C4' energy: -83.818 flat angles C4'-P-C4' energy: -88.461 flat angles P-C4'-P energy: -52.768 tors. eta vs tors. theta energy: -86.334 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: 7 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1192.118225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.118225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.118225 (E_RNA) where: Base-Base interactions energy: -810.858 where: short stacking energy: -377.602 Base-Backbone interact. energy: -0.676 local terms energy: -380.584005 where: bonds (distance) C4'-P energy: -67.238 bonds (distance) P-C4' energy: -76.737 flat angles C4'-P-C4' energy: -95.295 flat angles P-C4'-P energy: -48.139 tors. eta vs tors. theta energy: -93.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1066.849003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.849003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.849003 (E_RNA) where: Base-Base interactions energy: -705.600 where: short stacking energy: -343.051 Base-Backbone interact. energy: -1.151 local terms energy: -360.097983 where: bonds (distance) C4'-P energy: -79.311 bonds (distance) P-C4' energy: -79.033 flat angles C4'-P-C4' energy: -80.142 flat angles P-C4'-P energy: -44.214 tors. eta vs tors. theta energy: -77.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -865.489992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.489992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.489992 (E_RNA) where: Base-Base interactions energy: -547.390 where: short stacking energy: -252.582 Base-Backbone interact. energy: -0.405 local terms energy: -317.694838 where: bonds (distance) C4'-P energy: -75.009 bonds (distance) P-C4' energy: -65.499 flat angles C4'-P-C4' energy: -81.869 flat angles P-C4'-P energy: -34.971 tors. eta vs tors. theta energy: -60.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -812.496709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.496709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.496709 (E_RNA) where: Base-Base interactions energy: -520.257 where: short stacking energy: -237.553 Base-Backbone interact. energy: 0.207 local terms energy: -292.446508 where: bonds (distance) C4'-P energy: -73.524 bonds (distance) P-C4' energy: -70.322 flat angles C4'-P-C4' energy: -76.574 flat angles P-C4'-P energy: -35.940 tors. eta vs tors. theta energy: -36.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -537.743271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.743271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.743271 (E_RNA) where: Base-Base interactions energy: -266.603 where: short stacking energy: -134.251 Base-Backbone interact. energy: -2.018 local terms energy: -269.122792 where: bonds (distance) C4'-P energy: -72.334 bonds (distance) P-C4' energy: -71.308 flat angles C4'-P-C4' energy: -78.566 flat angles P-C4'-P energy: -43.694 tors. eta vs tors. theta energy: -3.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -425.720422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.720422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.720422 (E_RNA) where: Base-Base interactions energy: -211.296 where: short stacking energy: -129.192 Base-Backbone interact. energy: -0.320 local terms energy: -214.104460 where: bonds (distance) C4'-P energy: -68.269 bonds (distance) P-C4' energy: -65.823 flat angles C4'-P-C4' energy: -63.688 flat angles P-C4'-P energy: -20.748 tors. eta vs tors. theta energy: 4.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1432.823155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.823155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.823155 (E_RNA) where: Base-Base interactions energy: -979.413 where: short stacking energy: -434.637 Base-Backbone interact. energy: -2.969 local terms energy: -450.441479 where: bonds (distance) C4'-P energy: -79.574 bonds (distance) P-C4' energy: -87.569 flat angles C4'-P-C4' energy: -92.700 flat angles P-C4'-P energy: -63.039 tors. eta vs tors. theta energy: -127.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1371.451614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.451614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.451614 (E_RNA) where: Base-Base interactions energy: -921.198 where: short stacking energy: -381.003 Base-Backbone interact. energy: -1.863 local terms energy: -448.390701 where: bonds (distance) C4'-P energy: -88.120 bonds (distance) P-C4' energy: -92.963 flat angles C4'-P-C4' energy: -100.146 flat angles P-C4'-P energy: -62.784 tors. eta vs tors. theta energy: -104.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -1352.544658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.544658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.544658 (E_RNA) where: Base-Base interactions energy: -927.825 where: short stacking energy: -396.945 Base-Backbone interact. energy: 0.091 local terms energy: -424.810324 where: bonds (distance) C4'-P energy: -80.572 bonds (distance) P-C4' energy: -93.030 flat angles C4'-P-C4' energy: -90.461 flat angles P-C4'-P energy: -53.029 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: 6 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1224.550037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.550037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.550037 (E_RNA) where: Base-Base interactions energy: -832.886 where: short stacking energy: -369.832 Base-Backbone interact. energy: -1.644 local terms energy: -390.019442 where: bonds (distance) C4'-P energy: -86.499 bonds (distance) P-C4' energy: -81.068 flat angles C4'-P-C4' energy: -81.143 flat angles P-C4'-P energy: -41.808 tors. eta vs tors. theta energy: -99.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1179.007928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.007928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.007928 (E_RNA) where: Base-Base interactions energy: -771.098 where: short stacking energy: -360.994 Base-Backbone interact. energy: -1.720 local terms energy: -406.189807 where: bonds (distance) C4'-P energy: -79.492 bonds (distance) P-C4' energy: -88.634 flat angles C4'-P-C4' energy: -77.507 flat angles P-C4'-P energy: -54.666 tors. eta vs tors. theta energy: -105.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1060.903825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.903825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.903825 (E_RNA) where: Base-Base interactions energy: -707.127 where: short stacking energy: -298.636 Base-Backbone interact. energy: -1.852 local terms energy: -351.925399 where: bonds (distance) C4'-P energy: -54.724 bonds (distance) P-C4' energy: -80.249 flat angles C4'-P-C4' energy: -83.785 flat angles P-C4'-P energy: -55.370 tors. eta vs tors. theta energy: -77.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -875.589082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.589082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.589082 (E_RNA) where: Base-Base interactions energy: -534.393 where: short stacking energy: -248.427 Base-Backbone interact. energy: 1.227 local terms energy: -342.422850 where: bonds (distance) C4'-P energy: -75.449 bonds (distance) P-C4' energy: -77.232 flat angles C4'-P-C4' energy: -75.108 flat angles P-C4'-P energy: -56.262 tors. eta vs tors. theta energy: -58.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -807.773674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.773674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.773674 (E_RNA) where: Base-Base interactions energy: -490.700 where: short stacking energy: -246.964 Base-Backbone interact. energy: 0.111 local terms energy: -317.184585 where: bonds (distance) C4'-P energy: -73.243 bonds (distance) P-C4' energy: -74.053 flat angles C4'-P-C4' energy: -81.870 flat angles P-C4'-P energy: -37.944 tors. eta vs tors. theta energy: -50.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -473.689849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.689849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.689849 (E_RNA) where: Base-Base interactions energy: -231.812 where: short stacking energy: -135.097 Base-Backbone interact. energy: 1.651 local terms energy: -243.529383 where: bonds (distance) C4'-P energy: -60.187 bonds (distance) P-C4' energy: -79.537 flat angles C4'-P-C4' energy: -50.746 flat angles P-C4'-P energy: -44.402 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: 10, replica: 4 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -421.926283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.926283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.926283 (E_RNA) where: Base-Base interactions energy: -190.373 where: short stacking energy: -132.218 Base-Backbone interact. energy: -1.070 local terms energy: -230.482472 where: bonds (distance) C4'-P energy: -76.432 bonds (distance) P-C4' energy: -68.786 flat angles C4'-P-C4' energy: -43.465 flat angles P-C4'-P energy: -44.648 tors. eta vs tors. theta energy: 2.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1434.660129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.660129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.660129 (E_RNA) where: Base-Base interactions energy: -984.785 where: short stacking energy: -416.999 Base-Backbone interact. energy: -1.520 local terms energy: -448.355303 where: bonds (distance) C4'-P energy: -87.572 bonds (distance) P-C4' energy: -84.275 flat angles C4'-P-C4' energy: -97.871 flat angles P-C4'-P energy: -63.397 tors. eta vs tors. theta energy: -115.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1410.425135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.425135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.425135 (E_RNA) where: Base-Base interactions energy: -961.792 where: short stacking energy: -428.803 Base-Backbone interact. energy: -2.734 local terms energy: -445.899128 where: bonds (distance) C4'-P energy: -82.959 bonds (distance) P-C4' energy: -90.216 flat angles C4'-P-C4' energy: -96.270 flat angles P-C4'-P energy: -55.290 tors. eta vs tors. theta energy: -121.164 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: 53 Temperature: 1.000000 Total energy: -1336.436335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.436335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.436335 (E_RNA) where: Base-Base interactions energy: -918.085 where: short stacking energy: -387.562 Base-Backbone interact. energy: -2.365 local terms energy: -415.986311 where: bonds (distance) C4'-P energy: -74.025 bonds (distance) P-C4' energy: -79.337 flat angles C4'-P-C4' energy: -90.208 flat angles P-C4'-P energy: -66.291 tors. eta vs tors. theta energy: -106.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1259.852006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.852006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.852006 (E_RNA) where: Base-Base interactions energy: -877.369 where: short stacking energy: -381.159 Base-Backbone interact. energy: -0.639 local terms energy: -381.844388 where: bonds (distance) C4'-P energy: -67.470 bonds (distance) P-C4' energy: -79.652 flat angles C4'-P-C4' energy: -91.512 flat angles P-C4'-P energy: -48.026 tors. eta vs tors. theta energy: -95.185 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: 7 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1167.352830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.352830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.352830 (E_RNA) where: Base-Base interactions energy: -777.352 where: short stacking energy: -361.850 Base-Backbone interact. energy: -1.520 local terms energy: -388.481629 where: bonds (distance) C4'-P energy: -77.547 bonds (distance) P-C4' energy: -90.210 flat angles C4'-P-C4' energy: -84.983 flat angles P-C4'-P energy: -44.125 tors. eta vs tors. theta energy: -91.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1064.120321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.120321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.120321 (E_RNA) where: Base-Base interactions energy: -687.457 where: short stacking energy: -315.942 Base-Backbone interact. energy: -2.782 local terms energy: -373.881455 where: bonds (distance) C4'-P energy: -85.344 bonds (distance) P-C4' energy: -90.004 flat angles C4'-P-C4' energy: -69.453 flat angles P-C4'-P energy: -49.508 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: 7, replica: 2 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -873.288940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.288940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.288940 (E_RNA) where: Base-Base interactions energy: -549.801 where: short stacking energy: -257.645 Base-Backbone interact. energy: 2.556 local terms energy: -326.043420 where: bonds (distance) C4'-P energy: -76.047 bonds (distance) P-C4' energy: -84.651 flat angles C4'-P-C4' energy: -84.442 flat angles P-C4'-P energy: -35.588 tors. eta vs tors. theta energy: -45.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -796.827078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.827078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.827078 (E_RNA) where: Base-Base interactions energy: -516.729 where: short stacking energy: -255.967 Base-Backbone interact. energy: 1.494 local terms energy: -281.591624 where: bonds (distance) C4'-P energy: -65.040 bonds (distance) P-C4' energy: -64.959 flat angles C4'-P-C4' energy: -72.166 flat angles P-C4'-P energy: -40.381 tors. eta vs tors. theta energy: -39.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -501.737963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.737963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.737963 (E_RNA) where: Base-Base interactions energy: -247.801 where: short stacking energy: -144.138 Base-Backbone interact. energy: -0.939 local terms energy: -252.998130 where: bonds (distance) C4'-P energy: -60.537 bonds (distance) P-C4' energy: -83.593 flat angles C4'-P-C4' energy: -70.676 flat angles P-C4'-P energy: -38.438 tors. eta vs tors. theta energy: 0.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -414.532591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.532591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.532591 (E_RNA) where: Base-Base interactions energy: -186.258 where: short stacking energy: -119.201 Base-Backbone interact. energy: 1.476 local terms energy: -229.750732 where: bonds (distance) C4'-P energy: -62.143 bonds (distance) P-C4' energy: -69.768 flat angles C4'-P-C4' energy: -71.336 flat angles P-C4'-P energy: -39.220 tors. eta vs tors. theta energy: 12.717 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: 54 Temperature: 0.900000 Total energy: -1464.472901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.472901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.472901 (E_RNA) where: Base-Base interactions energy: -998.501 where: short stacking energy: -439.428 Base-Backbone interact. energy: -2.278 local terms energy: -463.693995 where: bonds (distance) C4'-P energy: -88.328 bonds (distance) P-C4' energy: -89.648 flat angles C4'-P-C4' energy: -98.161 flat angles P-C4'-P energy: -53.491 tors. eta vs tors. theta energy: -134.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1405.393110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.393110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.393110 (E_RNA) where: Base-Base interactions energy: -980.788 where: short stacking energy: -446.330 Base-Backbone interact. energy: -3.031 local terms energy: -421.574017 where: bonds (distance) C4'-P energy: -78.695 bonds (distance) P-C4' energy: -78.611 flat angles C4'-P-C4' energy: -91.561 flat angles P-C4'-P energy: -53.107 tors. eta vs tors. theta energy: -119.600 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: 54 Temperature: 1.000000 Total energy: -1372.857938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.857938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.857938 (E_RNA) where: Base-Base interactions energy: -946.362 where: short stacking energy: -399.529 Base-Backbone interact. energy: -2.598 local terms energy: -423.898161 where: bonds (distance) C4'-P energy: -66.706 bonds (distance) P-C4' energy: -92.452 flat angles C4'-P-C4' energy: -92.476 flat angles P-C4'-P energy: -58.954 tors. eta vs tors. theta energy: -113.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1267.319033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.319033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.319033 (E_RNA) where: Base-Base interactions energy: -861.136 where: short stacking energy: -386.731 Base-Backbone interact. energy: -1.533 local terms energy: -404.650187 where: bonds (distance) C4'-P energy: -80.589 bonds (distance) P-C4' energy: -84.247 flat angles C4'-P-C4' energy: -77.578 flat angles P-C4'-P energy: -58.632 tors. eta vs tors. theta energy: -103.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1179.748994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.748994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.748994 (E_RNA) where: Base-Base interactions energy: -764.566 where: short stacking energy: -360.875 Base-Backbone interact. energy: -0.726 local terms energy: -414.456754 where: bonds (distance) C4'-P energy: -85.578 bonds (distance) P-C4' energy: -85.451 flat angles C4'-P-C4' energy: -85.219 flat angles P-C4'-P energy: -59.672 tors. eta vs tors. theta energy: -98.538 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: 5 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1042.359197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.359197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.359197 (E_RNA) where: Base-Base interactions energy: -683.059 where: short stacking energy: -320.693 Base-Backbone interact. energy: -0.507 local terms energy: -358.793298 where: bonds (distance) C4'-P energy: -76.911 bonds (distance) P-C4' energy: -71.558 flat angles C4'-P-C4' energy: -76.616 flat angles P-C4'-P energy: -47.322 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: 7, replica: 9 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -812.651332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.651332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.651332 (E_RNA) where: Base-Base interactions energy: -508.144 where: short stacking energy: -235.755 Base-Backbone interact. energy: -2.680 local terms energy: -301.827186 where: bonds (distance) C4'-P energy: -88.647 bonds (distance) P-C4' energy: -75.681 flat angles C4'-P-C4' energy: -74.115 flat angles P-C4'-P energy: -29.299 tors. eta vs tors. theta energy: -34.085 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: 2 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -867.427957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.427957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.427957 (E_RNA) where: Base-Base interactions energy: -543.199 where: short stacking energy: -240.791 Base-Backbone interact. energy: -1.262 local terms energy: -322.967421 where: bonds (distance) C4'-P energy: -84.615 bonds (distance) P-C4' energy: -68.365 flat angles C4'-P-C4' energy: -76.214 flat angles P-C4'-P energy: -56.651 tors. eta vs tors. theta energy: -37.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -520.051409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.051409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.051409 (E_RNA) where: Base-Base interactions energy: -238.917 where: short stacking energy: -135.213 Base-Backbone interact. energy: -0.666 local terms energy: -280.467919 where: bonds (distance) C4'-P energy: -89.358 bonds (distance) P-C4' energy: -67.491 flat angles C4'-P-C4' energy: -63.293 flat angles P-C4'-P energy: -48.776 tors. eta vs tors. theta energy: -11.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -420.421984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.421984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.421984 (E_RNA) where: Base-Base interactions energy: -162.581 where: short stacking energy: -110.965 Base-Backbone interact. energy: 4.540 local terms energy: -262.381753 where: bonds (distance) C4'-P energy: -68.531 bonds (distance) P-C4' energy: -79.934 flat angles C4'-P-C4' energy: -68.917 flat angles P-C4'-P energy: -41.927 tors. eta vs tors. theta energy: -3.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1441.463740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.463740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.463740 (E_RNA) where: Base-Base interactions energy: -988.200 where: short stacking energy: -447.525 Base-Backbone interact. energy: -2.289 local terms energy: -450.974723 where: bonds (distance) C4'-P energy: -75.103 bonds (distance) P-C4' energy: -89.501 flat angles C4'-P-C4' energy: -91.315 flat angles P-C4'-P energy: -61.888 tors. eta vs tors. theta energy: -133.168 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: 8 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1419.799199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.799199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.799199 (E_RNA) where: Base-Base interactions energy: -985.965 where: short stacking energy: -443.669 Base-Backbone interact. energy: -2.179 local terms energy: -431.654516 where: bonds (distance) C4'-P energy: -82.520 bonds (distance) P-C4' energy: -76.504 flat angles C4'-P-C4' energy: -90.978 flat angles P-C4'-P energy: -59.983 tors. eta vs tors. theta energy: -121.669 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: 1 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1353.502932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.502932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.502932 (E_RNA) where: Base-Base interactions energy: -920.372 where: short stacking energy: -384.626 Base-Backbone interact. energy: 0.505 local terms energy: -433.635501 where: bonds (distance) C4'-P energy: -84.912 bonds (distance) P-C4' energy: -95.944 flat angles C4'-P-C4' energy: -90.390 flat angles P-C4'-P energy: -59.374 tors. eta vs tors. theta energy: -103.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1289.309065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.309065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.309065 (E_RNA) where: Base-Base interactions energy: -897.743 where: short stacking energy: -389.025 Base-Backbone interact. energy: -0.627 local terms energy: -390.939113 where: bonds (distance) C4'-P energy: -75.434 bonds (distance) P-C4' energy: -74.498 flat angles C4'-P-C4' energy: -91.877 flat angles P-C4'-P energy: -49.684 tors. eta vs tors. theta energy: -99.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1156.532715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.532715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.532715 (E_RNA) where: Base-Base interactions energy: -765.516 where: short stacking energy: -340.430 Base-Backbone interact. energy: -1.203 local terms energy: -389.813326 where: bonds (distance) C4'-P energy: -77.173 bonds (distance) P-C4' energy: -83.086 flat angles C4'-P-C4' energy: -78.081 flat angles P-C4'-P energy: -54.427 tors. eta vs tors. theta energy: -97.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1058.849112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.849112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.849112 (E_RNA) where: Base-Base interactions energy: -715.932 where: short stacking energy: -330.315 Base-Backbone interact. energy: -2.379 local terms energy: -340.538470 where: bonds (distance) C4'-P energy: -50.469 bonds (distance) P-C4' energy: -81.022 flat angles C4'-P-C4' energy: -78.814 flat angles P-C4'-P energy: -59.178 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: 7, replica: 9 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -871.582424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.582424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.582424 (E_RNA) where: Base-Base interactions energy: -567.293 where: short stacking energy: -290.493 Base-Backbone interact. energy: -1.390 local terms energy: -302.899245 where: bonds (distance) C4'-P energy: -73.003 bonds (distance) P-C4' energy: -68.188 flat angles C4'-P-C4' energy: -66.716 flat angles P-C4'-P energy: -46.352 tors. eta vs tors. theta energy: -48.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -842.645006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.645006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.645006 (E_RNA) where: Base-Base interactions energy: -553.119 where: short stacking energy: -248.342 Base-Backbone interact. energy: -2.246 local terms energy: -287.280230 where: bonds (distance) C4'-P energy: -66.240 bonds (distance) P-C4' energy: -68.345 flat angles C4'-P-C4' energy: -75.902 flat angles P-C4'-P energy: -34.779 tors. eta vs tors. theta energy: -42.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -512.294828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.294828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.294828 (E_RNA) where: Base-Base interactions energy: -275.840 where: short stacking energy: -169.715 Base-Backbone interact. energy: -1.365 local terms energy: -235.089777 where: bonds (distance) C4'-P energy: -62.759 bonds (distance) P-C4' energy: -62.936 flat angles C4'-P-C4' energy: -55.175 flat angles P-C4'-P energy: -32.982 tors. eta vs tors. theta energy: -21.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -444.001318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.001318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.001318 (E_RNA) where: Base-Base interactions energy: -203.298 where: short stacking energy: -123.710 Base-Backbone interact. energy: -0.740 local terms energy: -239.963511 where: bonds (distance) C4'-P energy: -64.037 bonds (distance) P-C4' energy: -72.043 flat angles C4'-P-C4' energy: -67.541 flat angles P-C4'-P energy: -42.352 tors. eta vs tors. theta energy: 6.009 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: 1, replica: 10 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1462.457521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.457521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.457521 (E_RNA) where: Base-Base interactions energy: -1001.545 where: short stacking energy: -439.306 Base-Backbone interact. energy: -2.102 local terms energy: -458.810430 where: bonds (distance) C4'-P energy: -93.070 bonds (distance) P-C4' energy: -86.020 flat angles C4'-P-C4' energy: -99.322 flat angles P-C4'-P energy: -50.634 tors. eta vs tors. theta energy: -129.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1440.313220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.313220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.313220 (E_RNA) where: Base-Base interactions energy: -999.903 where: short stacking energy: -426.852 Base-Backbone interact. energy: -2.877 local terms energy: -437.533567 where: bonds (distance) C4'-P energy: -80.005 bonds (distance) P-C4' energy: -94.952 flat angles C4'-P-C4' energy: -91.810 flat angles P-C4'-P energy: -51.243 tors. eta vs tors. theta energy: -119.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1343.132667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.132667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.132667 (E_RNA) where: Base-Base interactions energy: -916.698 where: short stacking energy: -376.965 Base-Backbone interact. energy: -0.425 local terms energy: -426.009631 where: bonds (distance) C4'-P energy: -81.083 bonds (distance) P-C4' energy: -78.324 flat angles C4'-P-C4' energy: -99.543 flat angles P-C4'-P energy: -69.419 tors. eta vs tors. theta energy: -97.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1261.519471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.519471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.519471 (E_RNA) where: Base-Base interactions energy: -838.017 where: short stacking energy: -365.941 Base-Backbone interact. energy: 0.251 local terms energy: -423.753871 where: bonds (distance) C4'-P energy: -92.238 bonds (distance) P-C4' energy: -86.873 flat angles C4'-P-C4' energy: -86.616 flat angles P-C4'-P energy: -61.867 tors. eta vs tors. theta energy: -96.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1116.899152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.899152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.899152 (E_RNA) where: Base-Base interactions energy: -751.880 where: short stacking energy: -343.012 Base-Backbone interact. energy: -0.005 local terms energy: -365.014196 where: bonds (distance) C4'-P energy: -75.200 bonds (distance) P-C4' energy: -78.061 flat angles C4'-P-C4' energy: -81.357 flat angles P-C4'-P energy: -55.199 tors. eta vs tors. theta energy: -75.198 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: 7 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1132.427136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.427136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.427136 (E_RNA) where: Base-Base interactions energy: -759.187 where: short stacking energy: -329.005 Base-Backbone interact. energy: -1.911 local terms energy: -371.329378 where: bonds (distance) C4'-P energy: -83.039 bonds (distance) P-C4' energy: -70.555 flat angles C4'-P-C4' energy: -79.231 flat angles P-C4'-P energy: -49.565 tors. eta vs tors. theta energy: -88.939 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: 7, replica: 9 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -857.203732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.203732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.203732 (E_RNA) where: Base-Base interactions energy: -531.370 where: short stacking energy: -237.620 Base-Backbone interact. energy: -1.620 local terms energy: -324.213765 where: bonds (distance) C4'-P energy: -78.687 bonds (distance) P-C4' energy: -71.674 flat angles C4'-P-C4' energy: -82.984 flat angles P-C4'-P energy: -43.114 tors. eta vs tors. theta energy: -47.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -859.423911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.423911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.423911 (E_RNA) where: Base-Base interactions energy: -557.530 where: short stacking energy: -262.005 Base-Backbone interact. energy: 1.694 local terms energy: -303.587859 where: bonds (distance) C4'-P energy: -53.591 bonds (distance) P-C4' energy: -77.933 flat angles C4'-P-C4' energy: -72.244 flat angles P-C4'-P energy: -41.465 tors. eta vs tors. theta energy: -58.354 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: 3 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -539.117218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.117218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.117218 (E_RNA) where: Base-Base interactions energy: -294.787 where: short stacking energy: -163.550 Base-Backbone interact. energy: 0.246 local terms energy: -244.576204 where: bonds (distance) C4'-P energy: -70.441 bonds (distance) P-C4' energy: -58.769 flat angles C4'-P-C4' energy: -74.926 flat angles P-C4'-P energy: -33.990 tors. eta vs tors. theta energy: -6.451 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: 4 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -460.551294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.551294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.551294 (E_RNA) where: Base-Base interactions energy: -227.668 where: short stacking energy: -143.630 Base-Backbone interact. energy: 0.488 local terms energy: -233.370912 where: bonds (distance) C4'-P energy: -65.657 bonds (distance) P-C4' energy: -70.629 flat angles C4'-P-C4' energy: -57.883 flat angles P-C4'-P energy: -33.263 tors. eta vs tors. theta energy: -5.939 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: 10 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1455.554245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.554245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.554245 (E_RNA) where: Base-Base interactions energy: -993.346 where: short stacking energy: -428.269 Base-Backbone interact. energy: -1.373 local terms energy: -460.835669 where: bonds (distance) C4'-P energy: -83.350 bonds (distance) P-C4' energy: -84.420 flat angles C4'-P-C4' energy: -100.851 flat angles P-C4'-P energy: -58.995 tors. eta vs tors. theta energy: -133.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1418.047595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.047595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.047595 (E_RNA) where: Base-Base interactions energy: -974.283 where: short stacking energy: -431.218 Base-Backbone interact. energy: -3.138 local terms energy: -440.626214 where: bonds (distance) C4'-P energy: -82.922 bonds (distance) P-C4' energy: -83.044 flat angles C4'-P-C4' energy: -99.461 flat angles P-C4'-P energy: -60.989 tors. eta vs tors. theta energy: -114.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1349.651630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.651630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.651630 (E_RNA) where: Base-Base interactions energy: -940.547 where: short stacking energy: -398.667 Base-Backbone interact. energy: -3.042 local terms energy: -406.063012 where: bonds (distance) C4'-P energy: -66.186 bonds (distance) P-C4' energy: -74.192 flat angles C4'-P-C4' energy: -96.256 flat angles P-C4'-P energy: -63.724 tors. eta vs tors. theta energy: -105.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1263.893746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.893746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.893746 (E_RNA) where: Base-Base interactions energy: -855.692 where: short stacking energy: -374.112 Base-Backbone interact. energy: -3.421 local terms energy: -404.780076 where: bonds (distance) C4'-P energy: -77.931 bonds (distance) P-C4' energy: -87.958 flat angles C4'-P-C4' energy: -90.824 flat angles P-C4'-P energy: -46.957 tors. eta vs tors. theta energy: -101.110 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: 5 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1108.762202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.762202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.762202 (E_RNA) where: Base-Base interactions energy: -720.797 where: short stacking energy: -318.952 Base-Backbone interact. energy: -2.460 local terms energy: -385.505231 where: bonds (distance) C4'-P energy: -81.285 bonds (distance) P-C4' energy: -86.049 flat angles C4'-P-C4' energy: -79.591 flat angles P-C4'-P energy: -61.181 tors. eta vs tors. theta energy: -77.399 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: 7 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1142.966494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.966494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.966494 (E_RNA) where: Base-Base interactions energy: -804.387 where: short stacking energy: -347.909 Base-Backbone interact. energy: 3.618 local terms energy: -342.197401 where: bonds (distance) C4'-P energy: -64.940 bonds (distance) P-C4' energy: -77.843 flat angles C4'-P-C4' energy: -85.304 flat angles P-C4'-P energy: -36.336 tors. eta vs tors. theta energy: -77.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -858.802416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.802416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.802416 (E_RNA) where: Base-Base interactions energy: -545.745 where: short stacking energy: -278.658 Base-Backbone interact. energy: -1.121 local terms energy: -311.936845 where: bonds (distance) C4'-P energy: -64.821 bonds (distance) P-C4' energy: -70.434 flat angles C4'-P-C4' energy: -81.789 flat angles P-C4'-P energy: -38.198 tors. eta vs tors. theta energy: -56.694 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: 2 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -859.294946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.294946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.294946 (E_RNA) where: Base-Base interactions energy: -536.026 where: short stacking energy: -260.522 Base-Backbone interact. energy: 0.297 local terms energy: -323.565771 where: bonds (distance) C4'-P energy: -66.620 bonds (distance) P-C4' energy: -78.647 flat angles C4'-P-C4' energy: -82.708 flat angles P-C4'-P energy: -43.239 tors. eta vs tors. theta energy: -52.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -502.753635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.753635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.753635 (E_RNA) where: Base-Base interactions energy: -269.056 where: short stacking energy: -155.055 Base-Backbone interact. energy: 0.517 local terms energy: -234.215117 where: bonds (distance) C4'-P energy: -59.038 bonds (distance) P-C4' energy: -70.603 flat angles C4'-P-C4' energy: -71.534 flat angles P-C4'-P energy: -32.602 tors. eta vs tors. theta energy: -0.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -503.420481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.420481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.420481 (E_RNA) where: Base-Base interactions energy: -253.254 where: short stacking energy: -131.645 Base-Backbone interact. energy: -0.389 local terms energy: -249.777503 where: bonds (distance) C4'-P energy: -86.298 bonds (distance) P-C4' energy: -82.156 flat angles C4'-P-C4' energy: -66.549 flat angles P-C4'-P energy: -24.690 tors. eta vs tors. theta energy: 9.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1438.663506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.663506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.663506 (E_RNA) where: Base-Base interactions energy: -983.132 where: short stacking energy: -447.002 Base-Backbone interact. energy: -1.356 local terms energy: -454.175403 where: bonds (distance) C4'-P energy: -91.377 bonds (distance) P-C4' energy: -83.982 flat angles C4'-P-C4' energy: -96.693 flat angles P-C4'-P energy: -61.193 tors. eta vs tors. theta energy: -120.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1446.704616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.704616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.704616 (E_RNA) where: Base-Base interactions energy: -975.408 where: short stacking energy: -424.701 Base-Backbone interact. energy: -1.474 local terms energy: -469.822641 where: bonds (distance) C4'-P energy: -85.971 bonds (distance) P-C4' energy: -92.984 flat angles C4'-P-C4' energy: -103.683 flat angles P-C4'-P energy: -59.501 tors. eta vs tors. theta energy: -127.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1372.976903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.976903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.976903 (E_RNA) where: Base-Base interactions energy: -950.527 where: short stacking energy: -396.421 Base-Backbone interact. energy: -1.221 local terms energy: -421.229083 where: bonds (distance) C4'-P energy: -83.106 bonds (distance) P-C4' energy: -71.824 flat angles C4'-P-C4' energy: -92.538 flat angles P-C4'-P energy: -61.538 tors. eta vs tors. theta energy: -112.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1288.637165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.637165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.637165 (E_RNA) where: Base-Base interactions energy: -913.024 where: short stacking energy: -388.847 Base-Backbone interact. energy: 3.586 local terms energy: -379.199866 where: bonds (distance) C4'-P energy: -75.982 bonds (distance) P-C4' energy: -77.151 flat angles C4'-P-C4' energy: -80.788 flat angles P-C4'-P energy: -45.153 tors. eta vs tors. theta energy: -100.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1182.857640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.857640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.857640 (E_RNA) where: Base-Base interactions energy: -797.088 where: short stacking energy: -359.694 Base-Backbone interact. energy: -0.507 local terms energy: -385.262775 where: bonds (distance) C4'-P energy: -72.255 bonds (distance) P-C4' energy: -80.550 flat angles C4'-P-C4' energy: -89.371 flat angles P-C4'-P energy: -46.124 tors. eta vs tors. theta energy: -96.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1096.008599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.008599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.008599 (E_RNA) where: Base-Base interactions energy: -723.257 where: short stacking energy: -329.896 Base-Backbone interact. energy: -2.302 local terms energy: -370.449908 where: bonds (distance) C4'-P energy: -70.067 bonds (distance) P-C4' energy: -78.419 flat angles C4'-P-C4' energy: -85.792 flat angles P-C4'-P energy: -57.220 tors. eta vs tors. theta energy: -78.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -848.685238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.685238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.685238 (E_RNA) where: Base-Base interactions energy: -542.346 where: short stacking energy: -268.953 Base-Backbone interact. energy: -0.978 local terms energy: -305.360552 where: bonds (distance) C4'-P energy: -67.903 bonds (distance) P-C4' energy: -66.021 flat angles C4'-P-C4' energy: -76.992 flat angles P-C4'-P energy: -34.577 tors. eta vs tors. theta energy: -59.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -785.907071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.907071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.907071 (E_RNA) where: Base-Base interactions energy: -474.193 where: short stacking energy: -225.636 Base-Backbone interact. energy: -2.794 local terms energy: -308.919662 where: bonds (distance) C4'-P energy: -74.547 bonds (distance) P-C4' energy: -66.860 flat angles C4'-P-C4' energy: -63.446 flat angles P-C4'-P energy: -47.887 tors. eta vs tors. theta energy: -56.180 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: 9, replica: 3 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -584.851123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.851123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.851123 (E_RNA) where: Base-Base interactions energy: -329.423 where: short stacking energy: -174.921 Base-Backbone interact. energy: -0.073 local terms energy: -255.354784 where: bonds (distance) C4'-P energy: -76.449 bonds (distance) P-C4' energy: -71.642 flat angles C4'-P-C4' energy: -65.251 flat angles P-C4'-P energy: -32.489 tors. eta vs tors. theta energy: -9.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -480.727244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.727244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.727244 (E_RNA) where: Base-Base interactions energy: -230.894 where: short stacking energy: -130.975 Base-Backbone interact. energy: -0.343 local terms energy: -249.490052 where: bonds (distance) C4'-P energy: -71.769 bonds (distance) P-C4' energy: -73.266 flat angles C4'-P-C4' energy: -60.872 flat angles P-C4'-P energy: -37.997 tors. eta vs tors. theta energy: -5.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1476.509747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.509747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.509747 (E_RNA) where: Base-Base interactions energy: -1030.380 where: short stacking energy: -428.707 Base-Backbone interact. energy: -1.868 local terms energy: -444.262051 where: bonds (distance) C4'-P energy: -85.415 bonds (distance) P-C4' energy: -86.366 flat angles C4'-P-C4' energy: -97.405 flat angles P-C4'-P energy: -59.587 tors. eta vs tors. theta energy: -115.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1437.063833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.063833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.063833 (E_RNA) where: Base-Base interactions energy: -995.290 where: short stacking energy: -435.409 Base-Backbone interact. energy: -3.577 local terms energy: -438.197385 where: bonds (distance) C4'-P energy: -84.532 bonds (distance) P-C4' energy: -77.613 flat angles C4'-P-C4' energy: -97.520 flat angles P-C4'-P energy: -55.510 tors. eta vs tors. theta energy: -123.024 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: 59 Temperature: 1.000000 Total energy: -1335.733908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.733908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.733908 (E_RNA) where: Base-Base interactions energy: -930.479 where: short stacking energy: -394.509 Base-Backbone interact. energy: -1.273 local terms energy: -403.982242 where: bonds (distance) C4'-P energy: -80.744 bonds (distance) P-C4' energy: -83.831 flat angles C4'-P-C4' energy: -86.418 flat angles P-C4'-P energy: -58.466 tors. eta vs tors. theta energy: -94.524 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: 6 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1274.021929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.021929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.021929 (E_RNA) where: Base-Base interactions energy: -875.990 where: short stacking energy: -378.985 Base-Backbone interact. energy: 0.983 local terms energy: -399.015759 where: bonds (distance) C4'-P energy: -83.034 bonds (distance) P-C4' energy: -77.645 flat angles C4'-P-C4' energy: -90.336 flat angles P-C4'-P energy: -43.973 tors. eta vs tors. theta energy: -104.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1201.924679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.924679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.924679 (E_RNA) where: Base-Base interactions energy: -817.150 where: short stacking energy: -341.874 Base-Backbone interact. energy: 0.093 local terms energy: -384.867571 where: bonds (distance) C4'-P energy: -82.616 bonds (distance) P-C4' energy: -76.918 flat angles C4'-P-C4' energy: -82.950 flat angles P-C4'-P energy: -51.202 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: 6, replica: 5 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1136.409922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.409922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.409922 (E_RNA) where: Base-Base interactions energy: -763.753 where: short stacking energy: -317.543 Base-Backbone interact. energy: -2.657 local terms energy: -370.000038 where: bonds (distance) C4'-P energy: -71.099 bonds (distance) P-C4' energy: -80.800 flat angles C4'-P-C4' energy: -93.870 flat angles P-C4'-P energy: -48.551 tors. eta vs tors. theta energy: -75.680 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: 7, replica: 9 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -833.330303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.330303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.330303 (E_RNA) where: Base-Base interactions energy: -524.442 where: short stacking energy: -251.375 Base-Backbone interact. energy: -3.811 local terms energy: -305.077208 where: bonds (distance) C4'-P energy: -74.999 bonds (distance) P-C4' energy: -78.013 flat angles C4'-P-C4' energy: -69.112 flat angles P-C4'-P energy: -43.909 tors. eta vs tors. theta energy: -39.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -775.788927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.788927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.788927 (E_RNA) where: Base-Base interactions energy: -492.255 where: short stacking energy: -240.509 Base-Backbone interact. energy: 0.806 local terms energy: -284.340271 where: bonds (distance) C4'-P energy: -69.854 bonds (distance) P-C4' energy: -71.499 flat angles C4'-P-C4' energy: -59.378 flat angles P-C4'-P energy: -41.893 tors. eta vs tors. theta energy: -41.717 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: 3 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -604.311566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.311566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.311566 (E_RNA) where: Base-Base interactions energy: -353.925 where: short stacking energy: -182.804 Base-Backbone interact. energy: 0.907 local terms energy: -251.293595 where: bonds (distance) C4'-P energy: -55.959 bonds (distance) P-C4' energy: -71.570 flat angles C4'-P-C4' energy: -63.044 flat angles P-C4'-P energy: -33.999 tors. eta vs tors. theta energy: -26.722 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: 10, replica: 4 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -448.691778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.691778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.691778 (E_RNA) where: Base-Base interactions energy: -218.424 where: short stacking energy: -130.511 Base-Backbone interact. energy: -2.363 local terms energy: -227.904738 where: bonds (distance) C4'-P energy: -68.251 bonds (distance) P-C4' energy: -74.553 flat angles C4'-P-C4' energy: -72.502 flat angles P-C4'-P energy: -19.260 tors. eta vs tors. theta energy: 6.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1465.249193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.249193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.249193 (E_RNA) where: Base-Base interactions energy: -1011.743 where: short stacking energy: -433.210 Base-Backbone interact. energy: -2.173 local terms energy: -451.333181 where: bonds (distance) C4'-P energy: -81.067 bonds (distance) P-C4' energy: -83.570 flat angles C4'-P-C4' energy: -92.108 flat angles P-C4'-P energy: -64.741 tors. eta vs tors. theta energy: -129.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1439.450043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.450043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.450043 (E_RNA) where: Base-Base interactions energy: -1018.893 where: short stacking energy: -441.074 Base-Backbone interact. energy: 0.203 local terms energy: -420.759491 where: bonds (distance) C4'-P energy: -76.614 bonds (distance) P-C4' energy: -79.500 flat angles C4'-P-C4' energy: -84.433 flat angles P-C4'-P energy: -59.745 tors. eta vs tors. theta energy: -120.467 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: 1 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1318.279206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.279206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.279206 (E_RNA) where: Base-Base interactions energy: -896.702 where: short stacking energy: -384.436 Base-Backbone interact. energy: -0.652 local terms energy: -420.925690 where: bonds (distance) C4'-P energy: -79.110 bonds (distance) P-C4' energy: -93.915 flat angles C4'-P-C4' energy: -86.624 flat angles P-C4'-P energy: -67.618 tors. eta vs tors. theta energy: -93.659 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: 4, replica: 6 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1254.676345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.676345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.676345 (E_RNA) where: Base-Base interactions energy: -858.689 where: short stacking energy: -374.222 Base-Backbone interact. energy: 2.850 local terms energy: -398.837409 where: bonds (distance) C4'-P energy: -63.975 bonds (distance) P-C4' energy: -83.501 flat angles C4'-P-C4' energy: -90.487 flat angles P-C4'-P energy: -64.654 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: 5, replica: 7 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1180.668203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.668203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.668203 (E_RNA) where: Base-Base interactions energy: -805.444 where: short stacking energy: -355.507 Base-Backbone interact. energy: -1.955 local terms energy: -373.268707 where: bonds (distance) C4'-P energy: -76.847 bonds (distance) P-C4' energy: -72.999 flat angles C4'-P-C4' energy: -78.310 flat angles P-C4'-P energy: -51.521 tors. eta vs tors. theta energy: -93.590 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: 5 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1158.430911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.430911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.430911 (E_RNA) where: Base-Base interactions energy: -804.506 where: short stacking energy: -339.271 Base-Backbone interact. energy: 1.261 local terms energy: -355.186061 where: bonds (distance) C4'-P energy: -64.998 bonds (distance) P-C4' energy: -59.611 flat angles C4'-P-C4' energy: -85.548 flat angles P-C4'-P energy: -54.874 tors. eta vs tors. theta energy: -90.154 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: 2 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -901.101670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.101670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.101670 (E_RNA) where: Base-Base interactions energy: -552.761 where: short stacking energy: -249.659 Base-Backbone interact. energy: -1.492 local terms energy: -346.848902 where: bonds (distance) C4'-P energy: -67.896 bonds (distance) P-C4' energy: -74.833 flat angles C4'-P-C4' energy: -83.216 flat angles P-C4'-P energy: -57.447 tors. eta vs tors. theta energy: -63.456 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: 8, replica: 9 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -822.306186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.306186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.306186 (E_RNA) where: Base-Base interactions energy: -507.668 where: short stacking energy: -258.279 Base-Backbone interact. energy: -1.337 local terms energy: -313.301423 where: bonds (distance) C4'-P energy: -66.651 bonds (distance) P-C4' energy: -79.096 flat angles C4'-P-C4' energy: -57.607 flat angles P-C4'-P energy: -51.226 tors. eta vs tors. theta energy: -58.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -675.255831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.255831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.255831 (E_RNA) where: Base-Base interactions energy: -397.733 where: short stacking energy: -204.554 Base-Backbone interact. energy: 0.476 local terms energy: -277.998193 where: bonds (distance) C4'-P energy: -61.650 bonds (distance) P-C4' energy: -58.127 flat angles C4'-P-C4' energy: -74.915 flat angles P-C4'-P energy: -44.800 tors. eta vs tors. theta energy: -38.507 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: 4 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -454.993926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.993926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.993926 (E_RNA) where: Base-Base interactions energy: -229.999 where: short stacking energy: -131.472 Base-Backbone interact. energy: 5.042 local terms energy: -230.036123 where: bonds (distance) C4'-P energy: -65.351 bonds (distance) P-C4' energy: -81.296 flat angles C4'-P-C4' energy: -53.643 flat angles P-C4'-P energy: -27.483 tors. eta vs tors. theta energy: -2.264 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: 10 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1464.496514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.496514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.496514 (E_RNA) where: Base-Base interactions energy: -1004.727 where: short stacking energy: -434.007 Base-Backbone interact. energy: -2.815 local terms energy: -456.954590 where: bonds (distance) C4'-P energy: -71.638 bonds (distance) P-C4' energy: -91.788 flat angles C4'-P-C4' energy: -98.791 flat angles P-C4'-P energy: -68.934 tors. eta vs tors. theta energy: -125.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1439.728884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.728884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.728884 (E_RNA) where: Base-Base interactions energy: -1006.659 where: short stacking energy: -430.535 Base-Backbone interact. energy: -0.343 local terms energy: -432.726412 where: bonds (distance) C4'-P energy: -85.377 bonds (distance) P-C4' energy: -80.498 flat angles C4'-P-C4' energy: -94.520 flat angles P-C4'-P energy: -62.714 tors. eta vs tors. theta energy: -109.618 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: 61 Temperature: 1.000000 Total energy: -1328.930157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.930157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.930157 (E_RNA) where: Base-Base interactions energy: -898.164 where: short stacking energy: -377.102 Base-Backbone interact. energy: -2.241 local terms energy: -428.525426 where: bonds (distance) C4'-P energy: -75.741 bonds (distance) P-C4' energy: -91.129 flat angles C4'-P-C4' energy: -99.765 flat angles P-C4'-P energy: -55.742 tors. eta vs tors. theta energy: -106.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1271.713135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.713135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.713135 (E_RNA) where: Base-Base interactions energy: -870.582 where: short stacking energy: -389.174 Base-Backbone interact. energy: -1.201 local terms energy: -399.930372 where: bonds (distance) C4'-P energy: -72.851 bonds (distance) P-C4' energy: -70.631 flat angles C4'-P-C4' energy: -89.566 flat angles P-C4'-P energy: -65.968 tors. eta vs tors. theta energy: -100.914 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: 5, replica: 7 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1188.239192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.239192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.239192 (E_RNA) where: Base-Base interactions energy: -815.731 where: short stacking energy: -336.609 Base-Backbone interact. energy: 2.517 local terms energy: -375.025832 where: bonds (distance) C4'-P energy: -57.390 bonds (distance) P-C4' energy: -76.184 flat angles C4'-P-C4' energy: -86.291 flat angles P-C4'-P energy: -59.629 tors. eta vs tors. theta energy: -95.532 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: 5 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1166.068490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.068490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.068490 (E_RNA) where: Base-Base interactions energy: -789.490 where: short stacking energy: -331.645 Base-Backbone interact. energy: -3.712 local terms energy: -372.866620 where: bonds (distance) C4'-P energy: -74.049 bonds (distance) P-C4' energy: -67.145 flat angles C4'-P-C4' energy: -85.175 flat angles P-C4'-P energy: -54.463 tors. eta vs tors. theta energy: -92.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -853.080999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.080999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.080999 (E_RNA) where: Base-Base interactions energy: -535.458 where: short stacking energy: -257.752 Base-Backbone interact. energy: -0.915 local terms energy: -316.708256 where: bonds (distance) C4'-P energy: -75.015 bonds (distance) P-C4' energy: -74.367 flat angles C4'-P-C4' energy: -72.925 flat angles P-C4'-P energy: -47.459 tors. eta vs tors. theta energy: -46.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -805.999064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.999064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.999064 (E_RNA) where: Base-Base interactions energy: -502.989 where: short stacking energy: -253.633 Base-Backbone interact. energy: -0.666 local terms energy: -302.343995 where: bonds (distance) C4'-P energy: -72.613 bonds (distance) P-C4' energy: -70.522 flat angles C4'-P-C4' energy: -69.954 flat angles P-C4'-P energy: -41.046 tors. eta vs tors. theta energy: -48.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -668.769032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.769032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.769032 (E_RNA) where: Base-Base interactions energy: -409.675 where: short stacking energy: -210.689 Base-Backbone interact. energy: -0.176 local terms energy: -258.917461 where: bonds (distance) C4'-P energy: -62.182 bonds (distance) P-C4' energy: -58.598 flat angles C4'-P-C4' energy: -58.028 flat angles P-C4'-P energy: -39.218 tors. eta vs tors. theta energy: -40.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -521.475501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.475501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.475501 (E_RNA) where: Base-Base interactions energy: -284.287 where: short stacking energy: -169.895 Base-Backbone interact. energy: -1.191 local terms energy: -235.997002 where: bonds (distance) C4'-P energy: -63.985 bonds (distance) P-C4' energy: -61.559 flat angles C4'-P-C4' energy: -49.340 flat angles P-C4'-P energy: -39.824 tors. eta vs tors. theta energy: -21.290 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: 62 Temperature: 0.900000 Total energy: -1463.942236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.942236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.942236 (E_RNA) where: Base-Base interactions energy: -1012.951 where: short stacking energy: -433.387 Base-Backbone interact. energy: -1.012 local terms energy: -449.979072 where: bonds (distance) C4'-P energy: -78.821 bonds (distance) P-C4' energy: -84.477 flat angles C4'-P-C4' energy: -102.870 flat angles P-C4'-P energy: -60.054 tors. eta vs tors. theta energy: -123.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1437.253725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.253725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.253725 (E_RNA) where: Base-Base interactions energy: -998.458 where: short stacking energy: -427.526 Base-Backbone interact. energy: -4.435 local terms energy: -434.360768 where: bonds (distance) C4'-P energy: -75.934 bonds (distance) P-C4' energy: -84.798 flat angles C4'-P-C4' energy: -91.354 flat angles P-C4'-P energy: -67.748 tors. eta vs tors. theta energy: -114.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1348.613327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.613327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.613327 (E_RNA) where: Base-Base interactions energy: -937.006 where: short stacking energy: -359.750 Base-Backbone interact. energy: -1.763 local terms energy: -409.844365 where: bonds (distance) C4'-P energy: -85.091 bonds (distance) P-C4' energy: -80.997 flat angles C4'-P-C4' energy: -91.810 flat angles P-C4'-P energy: -59.372 tors. eta vs tors. theta energy: -92.575 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: 6 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1294.569040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.569040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.569040 (E_RNA) where: Base-Base interactions energy: -906.662 where: short stacking energy: -407.087 Base-Backbone interact. energy: -1.095 local terms energy: -386.811650 where: bonds (distance) C4'-P energy: -69.144 bonds (distance) P-C4' energy: -66.399 flat angles C4'-P-C4' energy: -94.909 flat angles P-C4'-P energy: -51.768 tors. eta vs tors. theta energy: -104.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1212.185301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.185301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.185301 (E_RNA) where: Base-Base interactions energy: -827.954 where: short stacking energy: -366.012 Base-Backbone interact. energy: -1.687 local terms energy: -382.545164 where: bonds (distance) C4'-P energy: -66.105 bonds (distance) P-C4' energy: -67.875 flat angles C4'-P-C4' energy: -95.386 flat angles P-C4'-P energy: -57.905 tors. eta vs tors. theta energy: -95.274 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: 7 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1124.892935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.892935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.892935 (E_RNA) where: Base-Base interactions energy: -756.096 where: short stacking energy: -350.127 Base-Backbone interact. energy: -0.763 local terms energy: -368.034128 where: bonds (distance) C4'-P energy: -70.352 bonds (distance) P-C4' energy: -74.076 flat angles C4'-P-C4' energy: -84.802 flat angles P-C4'-P energy: -38.081 tors. eta vs tors. theta energy: -100.723 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: 7, replica: 9 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -845.093142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.093142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.093142 (E_RNA) where: Base-Base interactions energy: -522.903 where: short stacking energy: -234.914 Base-Backbone interact. energy: 0.125 local terms energy: -322.315541 where: bonds (distance) C4'-P energy: -74.249 bonds (distance) P-C4' energy: -78.836 flat angles C4'-P-C4' energy: -85.885 flat angles P-C4'-P energy: -43.718 tors. eta vs tors. theta energy: -39.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -808.720072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.720072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.720072 (E_RNA) where: Base-Base interactions energy: -488.040 where: short stacking energy: -241.376 Base-Backbone interact. energy: 4.794 local terms energy: -325.473686 where: bonds (distance) C4'-P energy: -85.599 bonds (distance) P-C4' energy: -72.047 flat angles C4'-P-C4' energy: -76.040 flat angles P-C4'-P energy: -41.650 tors. eta vs tors. theta energy: -50.137 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: 4 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -498.365253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.365253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.365253 (E_RNA) where: Base-Base interactions energy: -223.976 where: short stacking energy: -138.716 Base-Backbone interact. energy: -0.470 local terms energy: -273.920075 where: bonds (distance) C4'-P energy: -59.474 bonds (distance) P-C4' energy: -80.946 flat angles C4'-P-C4' energy: -67.714 flat angles P-C4'-P energy: -44.653 tors. eta vs tors. theta energy: -21.133 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: 3 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -607.592366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.592366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.592366 (E_RNA) where: Base-Base interactions energy: -342.958 where: short stacking energy: -173.327 Base-Backbone interact. energy: -1.038 local terms energy: -263.596833 where: bonds (distance) C4'-P energy: -59.873 bonds (distance) P-C4' energy: -80.015 flat angles C4'-P-C4' energy: -67.119 flat angles P-C4'-P energy: -41.548 tors. eta vs tors. theta energy: -15.042 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: 10 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1461.038744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.038744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.038744 (E_RNA) where: Base-Base interactions energy: -1020.651 where: short stacking energy: -439.314 Base-Backbone interact. energy: 1.910 local terms energy: -442.297162 where: bonds (distance) C4'-P energy: -73.601 bonds (distance) P-C4' energy: -85.366 flat angles C4'-P-C4' energy: -93.264 flat angles P-C4'-P energy: -61.064 tors. eta vs tors. theta energy: -129.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1441.337751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.337751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.337751 (E_RNA) where: Base-Base interactions energy: -1001.561 where: short stacking energy: -432.583 Base-Backbone interact. energy: -2.711 local terms energy: -437.065999 where: bonds (distance) C4'-P energy: -76.053 bonds (distance) P-C4' energy: -72.294 flat angles C4'-P-C4' energy: -97.687 flat angles P-C4'-P energy: -74.118 tors. eta vs tors. theta energy: -116.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1338.455765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.455765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.455765 (E_RNA) where: Base-Base interactions energy: -925.578 where: short stacking energy: -381.075 Base-Backbone interact. energy: -3.570 local terms energy: -409.308139 where: bonds (distance) C4'-P energy: -72.607 bonds (distance) P-C4' energy: -76.874 flat angles C4'-P-C4' energy: -85.325 flat angles P-C4'-P energy: -72.813 tors. eta vs tors. theta energy: -101.689 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: 6 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1308.607163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.607163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.607163 (E_RNA) where: Base-Base interactions energy: -889.309 where: short stacking energy: -405.662 Base-Backbone interact. energy: -0.976 local terms energy: -418.321738 where: bonds (distance) C4'-P energy: -82.405 bonds (distance) P-C4' energy: -78.953 flat angles C4'-P-C4' energy: -88.096 flat angles P-C4'-P energy: -60.483 tors. eta vs tors. theta energy: -108.384 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: 5 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1210.214111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.214111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.214111 (E_RNA) where: Base-Base interactions energy: -834.776 where: short stacking energy: -391.015 Base-Backbone interact. energy: -1.899 local terms energy: -373.539556 where: bonds (distance) C4'-P energy: -76.216 bonds (distance) P-C4' energy: -73.647 flat angles C4'-P-C4' energy: -70.430 flat angles P-C4'-P energy: -48.353 tors. eta vs tors. theta energy: -104.893 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: 7 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1153.203592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.203592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.203592 (E_RNA) where: Base-Base interactions energy: -784.933 where: short stacking energy: -341.505 Base-Backbone interact. energy: -3.134 local terms energy: -365.136487 where: bonds (distance) C4'-P energy: -63.155 bonds (distance) P-C4' energy: -70.243 flat angles C4'-P-C4' energy: -89.338 flat angles P-C4'-P energy: -56.788 tors. eta vs tors. theta energy: -85.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -838.188754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.188754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.188754 (E_RNA) where: Base-Base interactions energy: -537.420 where: short stacking energy: -258.940 Base-Backbone interact. energy: 0.843 local terms energy: -301.611910 where: bonds (distance) C4'-P energy: -67.662 bonds (distance) P-C4' energy: -77.496 flat angles C4'-P-C4' energy: -71.523 flat angles P-C4'-P energy: -44.932 tors. eta vs tors. theta energy: -39.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -814.618676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.618676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.618676 (E_RNA) where: Base-Base interactions energy: -512.020 where: short stacking energy: -258.548 Base-Backbone interact. energy: 0.223 local terms energy: -302.821931 where: bonds (distance) C4'-P energy: -73.321 bonds (distance) P-C4' energy: -67.967 flat angles C4'-P-C4' energy: -60.442 flat angles P-C4'-P energy: -45.754 tors. eta vs tors. theta energy: -55.339 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: 4 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -472.617368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.617368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.617368 (E_RNA) where: Base-Base interactions energy: -242.932 where: short stacking energy: -155.635 Base-Backbone interact. energy: -0.429 local terms energy: -229.256222 where: bonds (distance) C4'-P energy: -75.540 bonds (distance) P-C4' energy: -70.705 flat angles C4'-P-C4' energy: -54.304 flat angles P-C4'-P energy: -35.845 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: 10, replica: 3 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -602.511367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.511367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.511367 (E_RNA) where: Base-Base interactions energy: -354.099 where: short stacking energy: -199.039 Base-Backbone interact. energy: -0.322 local terms energy: -248.090456 where: bonds (distance) C4'-P energy: -61.688 bonds (distance) P-C4' energy: -69.441 flat angles C4'-P-C4' energy: -63.589 flat angles P-C4'-P energy: -33.212 tors. eta vs tors. theta energy: -20.160 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: 1, replica: 10 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1468.030586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.030586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.030586 (E_RNA) where: Base-Base interactions energy: -1013.840 where: short stacking energy: -436.556 Base-Backbone interact. energy: 1.071 local terms energy: -455.261786 where: bonds (distance) C4'-P energy: -87.382 bonds (distance) P-C4' energy: -91.394 flat angles C4'-P-C4' energy: -96.962 flat angles P-C4'-P energy: -53.540 tors. eta vs tors. theta energy: -125.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1410.381726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.381726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.381726 (E_RNA) where: Base-Base interactions energy: -993.106 where: short stacking energy: -413.671 Base-Backbone interact. energy: -3.271 local terms energy: -414.004988 where: bonds (distance) C4'-P energy: -71.003 bonds (distance) P-C4' energy: -84.640 flat angles C4'-P-C4' energy: -85.582 flat angles P-C4'-P energy: -58.672 tors. eta vs tors. theta energy: -114.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1314.516558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.516558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.516558 (E_RNA) where: Base-Base interactions energy: -916.422 where: short stacking energy: -377.853 Base-Backbone interact. energy: 1.120 local terms energy: -399.215039 where: bonds (distance) C4'-P energy: -73.911 bonds (distance) P-C4' energy: -70.791 flat angles C4'-P-C4' energy: -88.471 flat angles P-C4'-P energy: -61.871 tors. eta vs tors. theta energy: -104.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1284.964369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.964369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.964369 (E_RNA) where: Base-Base interactions energy: -884.498 where: short stacking energy: -383.888 Base-Backbone interact. energy: -3.511 local terms energy: -396.955520 where: bonds (distance) C4'-P energy: -87.516 bonds (distance) P-C4' energy: -75.203 flat angles C4'-P-C4' energy: -80.798 flat angles P-C4'-P energy: -54.434 tors. eta vs tors. theta energy: -99.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1152.760838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.760838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.760838 (E_RNA) where: Base-Base interactions energy: -773.422 where: short stacking energy: -333.457 Base-Backbone interact. energy: -2.841 local terms energy: -376.498232 where: bonds (distance) C4'-P energy: -65.972 bonds (distance) P-C4' energy: -89.542 flat angles C4'-P-C4' energy: -79.564 flat angles P-C4'-P energy: -55.374 tors. eta vs tors. theta energy: -86.046 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: 64 Temperature: 1.150000 Total energy: -1158.216896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.216896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.216896 (E_RNA) where: Base-Base interactions energy: -791.478 where: short stacking energy: -328.966 Base-Backbone interact. energy: 2.615 local terms energy: -369.353567 where: bonds (distance) C4'-P energy: -52.896 bonds (distance) P-C4' energy: -78.538 flat angles C4'-P-C4' energy: -87.773 flat angles P-C4'-P energy: -52.849 tors. eta vs tors. theta energy: -97.296 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: 64 Temperature: 1.200000 Total energy: -904.363924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.363924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.363924 (E_RNA) where: Base-Base interactions energy: -572.046 where: short stacking energy: -269.435 Base-Backbone interact. energy: 0.891 local terms energy: -333.209040 where: bonds (distance) C4'-P energy: -79.446 bonds (distance) P-C4' energy: -75.224 flat angles C4'-P-C4' energy: -64.882 flat angles P-C4'-P energy: -58.901 tors. eta vs tors. theta energy: -54.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -797.636401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.636401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.636401 (E_RNA) where: Base-Base interactions energy: -486.291 where: short stacking energy: -259.818 Base-Backbone interact. energy: -1.641 local terms energy: -309.704618 where: bonds (distance) C4'-P energy: -56.303 bonds (distance) P-C4' energy: -75.168 flat angles C4'-P-C4' energy: -79.487 flat angles P-C4'-P energy: -38.993 tors. eta vs tors. theta energy: -59.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -555.220891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.220891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.220891 (E_RNA) where: Base-Base interactions energy: -286.182 where: short stacking energy: -173.637 Base-Backbone interact. energy: -0.819 local terms energy: -268.219567 where: bonds (distance) C4'-P energy: -74.761 bonds (distance) P-C4' energy: -75.960 flat angles C4'-P-C4' energy: -62.938 flat angles P-C4'-P energy: -41.623 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: 10, replica: 4 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -466.687888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.687888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.687888 (E_RNA) where: Base-Base interactions energy: -217.615 where: short stacking energy: -132.410 Base-Backbone interact. energy: -1.689 local terms energy: -247.384135 where: bonds (distance) C4'-P energy: -77.685 bonds (distance) P-C4' energy: -69.312 flat angles C4'-P-C4' energy: -64.169 flat angles P-C4'-P energy: -38.920 tors. eta vs tors. theta energy: 2.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1462.676441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.676441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.676441 (E_RNA) where: Base-Base interactions energy: -997.450 where: short stacking energy: -448.881 Base-Backbone interact. energy: -0.565 local terms energy: -464.661180 where: bonds (distance) C4'-P energy: -81.997 bonds (distance) P-C4' energy: -88.579 flat angles C4'-P-C4' energy: -97.594 flat angles P-C4'-P energy: -67.896 tors. eta vs tors. theta energy: -128.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1421.218323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.218323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.218323 (E_RNA) where: Base-Base interactions energy: -985.544 where: short stacking energy: -419.008 Base-Backbone interact. energy: -2.317 local terms energy: -433.356905 where: bonds (distance) C4'-P energy: -88.172 bonds (distance) P-C4' energy: -77.567 flat angles C4'-P-C4' energy: -94.375 flat angles P-C4'-P energy: -59.105 tors. eta vs tors. theta energy: -114.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1344.307373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.307373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.307373 (E_RNA) where: Base-Base interactions energy: -928.267 where: short stacking energy: -372.737 Base-Backbone interact. energy: 2.174 local terms energy: -418.214810 where: bonds (distance) C4'-P energy: -84.963 bonds (distance) P-C4' energy: -86.711 flat angles C4'-P-C4' energy: -90.363 flat angles P-C4'-P energy: -63.304 tors. eta vs tors. theta energy: -92.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1340.323237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.323237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.323237 (E_RNA) where: Base-Base interactions energy: -922.600 where: short stacking energy: -397.037 Base-Backbone interact. energy: -2.628 local terms energy: -415.094522 where: bonds (distance) C4'-P energy: -78.144 bonds (distance) P-C4' energy: -79.010 flat angles C4'-P-C4' energy: -87.919 flat angles P-C4'-P energy: -60.087 tors. eta vs tors. theta energy: -109.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1195.345274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.345274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.345274 (E_RNA) where: Base-Base interactions energy: -822.750 where: short stacking energy: -348.238 Base-Backbone interact. energy: 0.035 local terms energy: -372.629688 where: bonds (distance) C4'-P energy: -71.168 bonds (distance) P-C4' energy: -68.349 flat angles C4'-P-C4' energy: -81.766 flat angles P-C4'-P energy: -62.584 tors. eta vs tors. theta energy: -88.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1114.383546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.383546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.383546 (E_RNA) where: Base-Base interactions energy: -774.610 where: short stacking energy: -321.865 Base-Backbone interact. energy: -3.181 local terms energy: -336.593070 where: bonds (distance) C4'-P energy: -71.879 bonds (distance) P-C4' energy: -60.724 flat angles C4'-P-C4' energy: -92.442 flat angles P-C4'-P energy: -28.638 tors. eta vs tors. theta energy: -82.910 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: 7, replica: 2 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -887.508220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.508220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.508220 (E_RNA) where: Base-Base interactions energy: -559.589 where: short stacking energy: -263.330 Base-Backbone interact. energy: -3.970 local terms energy: -323.949406 where: bonds (distance) C4'-P energy: -66.683 bonds (distance) P-C4' energy: -80.454 flat angles C4'-P-C4' energy: -73.050 flat angles P-C4'-P energy: -48.281 tors. eta vs tors. theta energy: -55.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -770.440774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.440774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.440774 (E_RNA) where: Base-Base interactions energy: -466.513 where: short stacking energy: -228.951 Base-Backbone interact. energy: -0.416 local terms energy: -303.512379 where: bonds (distance) C4'-P energy: -70.302 bonds (distance) P-C4' energy: -68.174 flat angles C4'-P-C4' energy: -78.625 flat angles P-C4'-P energy: -53.230 tors. eta vs tors. theta energy: -33.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -601.000117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.000117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.000117 (E_RNA) where: Base-Base interactions energy: -334.254 where: short stacking energy: -175.933 Base-Backbone interact. energy: -3.954 local terms energy: -262.792349 where: bonds (distance) C4'-P energy: -68.613 bonds (distance) P-C4' energy: -74.695 flat angles C4'-P-C4' energy: -50.416 flat angles P-C4'-P energy: -44.618 tors. eta vs tors. theta energy: -24.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -489.385135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.385135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.385135 (E_RNA) where: Base-Base interactions energy: -278.555 where: short stacking energy: -183.358 Base-Backbone interact. energy: 0.956 local terms energy: -211.786208 where: bonds (distance) C4'-P energy: -59.538 bonds (distance) P-C4' energy: -64.018 flat angles C4'-P-C4' energy: -49.414 flat angles P-C4'-P energy: -26.864 tors. eta vs tors. theta energy: -11.952 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: 8 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1458.340643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.340643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.340643 (E_RNA) where: Base-Base interactions energy: -1013.615 where: short stacking energy: -419.208 Base-Backbone interact. energy: 0.080 local terms energy: -444.805857 where: bonds (distance) C4'-P energy: -77.691 bonds (distance) P-C4' energy: -86.107 flat angles C4'-P-C4' energy: -97.567 flat angles P-C4'-P energy: -66.406 tors. eta vs tors. theta energy: -117.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1440.889576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.889576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.889576 (E_RNA) where: Base-Base interactions energy: -1010.927 where: short stacking energy: -445.364 Base-Backbone interact. energy: -1.741 local terms energy: -428.221559 where: bonds (distance) C4'-P energy: -76.415 bonds (distance) P-C4' energy: -81.500 flat angles C4'-P-C4' energy: -93.666 flat angles P-C4'-P energy: -54.762 tors. eta vs tors. theta energy: -121.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1319.534211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.534211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.534211 (E_RNA) where: Base-Base interactions energy: -938.528 where: short stacking energy: -379.995 Base-Backbone interact. energy: -2.150 local terms energy: -378.855634 where: bonds (distance) C4'-P energy: -62.747 bonds (distance) P-C4' energy: -76.473 flat angles C4'-P-C4' energy: -92.905 flat angles P-C4'-P energy: -47.296 tors. eta vs tors. theta energy: -99.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1339.139463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.139463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.139463 (E_RNA) where: Base-Base interactions energy: -938.359 where: short stacking energy: -420.627 Base-Backbone interact. energy: -1.394 local terms energy: -399.386781 where: bonds (distance) C4'-P energy: -78.060 bonds (distance) P-C4' energy: -73.433 flat angles C4'-P-C4' energy: -81.426 flat angles P-C4'-P energy: -56.913 tors. eta vs tors. theta energy: -109.554 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: 5 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1192.078379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.078379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.078379 (E_RNA) where: Base-Base interactions energy: -810.620 where: short stacking energy: -368.761 Base-Backbone interact. energy: -0.686 local terms energy: -380.772698 where: bonds (distance) C4'-P energy: -67.313 bonds (distance) P-C4' energy: -85.863 flat angles C4'-P-C4' energy: -88.083 flat angles P-C4'-P energy: -48.100 tors. eta vs tors. theta energy: -91.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1152.852847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.852847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.852847 (E_RNA) where: Base-Base interactions energy: -785.638 where: short stacking energy: -339.834 Base-Backbone interact. energy: -0.830 local terms energy: -366.385191 where: bonds (distance) C4'-P energy: -72.816 bonds (distance) P-C4' energy: -77.722 flat angles C4'-P-C4' energy: -69.688 flat angles P-C4'-P energy: -44.697 tors. eta vs tors. theta energy: -101.462 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: 7, replica: 2 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -922.171633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.171633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.171633 (E_RNA) where: Base-Base interactions energy: -584.946 where: short stacking energy: -281.113 Base-Backbone interact. energy: -0.050 local terms energy: -337.174778 where: bonds (distance) C4'-P energy: -73.264 bonds (distance) P-C4' energy: -71.049 flat angles C4'-P-C4' energy: -79.456 flat angles P-C4'-P energy: -45.506 tors. eta vs tors. theta energy: -67.900 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: 9 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -827.111379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.111379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.111379 (E_RNA) where: Base-Base interactions energy: -513.243 where: short stacking energy: -233.979 Base-Backbone interact. energy: -2.694 local terms energy: -311.175243 where: bonds (distance) C4'-P energy: -76.988 bonds (distance) P-C4' energy: -78.213 flat angles C4'-P-C4' energy: -65.664 flat angles P-C4'-P energy: -53.509 tors. eta vs tors. theta energy: -36.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -639.057543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.057543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.057543 (E_RNA) where: Base-Base interactions energy: -380.249 where: short stacking energy: -213.458 Base-Backbone interact. energy: 1.676 local terms energy: -260.485166 where: bonds (distance) C4'-P energy: -55.569 bonds (distance) P-C4' energy: -82.178 flat angles C4'-P-C4' energy: -57.318 flat angles P-C4'-P energy: -37.810 tors. eta vs tors. theta energy: -27.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -493.431542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.431542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.431542 (E_RNA) where: Base-Base interactions energy: -254.249 where: short stacking energy: -152.811 Base-Backbone interact. energy: 0.524 local terms energy: -239.706519 where: bonds (distance) C4'-P energy: -63.866 bonds (distance) P-C4' energy: -84.258 flat angles C4'-P-C4' energy: -59.858 flat angles P-C4'-P energy: -27.874 tors. eta vs tors. theta energy: -3.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1457.795795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.795795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.795795 (E_RNA) where: Base-Base interactions energy: -1032.158 where: short stacking energy: -428.456 Base-Backbone interact. energy: -3.498 local terms energy: -422.139413 where: bonds (distance) C4'-P energy: -80.657 bonds (distance) P-C4' energy: -79.577 flat angles C4'-P-C4' energy: -87.343 flat angles P-C4'-P energy: -56.369 tors. eta vs tors. theta energy: -118.194 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: 2, replica: 10 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1448.565421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.565421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.565421 (E_RNA) where: Base-Base interactions energy: -999.146 where: short stacking energy: -432.892 Base-Backbone interact. energy: -2.383 local terms energy: -447.036463 where: bonds (distance) C4'-P energy: -84.195 bonds (distance) P-C4' energy: -79.305 flat angles C4'-P-C4' energy: -94.867 flat angles P-C4'-P energy: -60.323 tors. eta vs tors. theta energy: -128.346 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: 1 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1336.913696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.913696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.913696 (E_RNA) where: Base-Base interactions energy: -919.332 where: short stacking energy: -395.854 Base-Backbone interact. energy: -2.033 local terms energy: -415.548644 where: bonds (distance) C4'-P energy: -84.502 bonds (distance) P-C4' energy: -87.999 flat angles C4'-P-C4' energy: -81.409 flat angles P-C4'-P energy: -58.038 tors. eta vs tors. theta energy: -103.600 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: 6 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1325.170265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.170265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.170265 (E_RNA) where: Base-Base interactions energy: -917.409 where: short stacking energy: -399.384 Base-Backbone interact. energy: -1.838 local terms energy: -405.923287 where: bonds (distance) C4'-P energy: -69.903 bonds (distance) P-C4' energy: -92.437 flat angles C4'-P-C4' energy: -78.366 flat angles P-C4'-P energy: -56.921 tors. eta vs tors. theta energy: -108.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1187.646485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.646485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.646485 (E_RNA) where: Base-Base interactions energy: -821.232 where: short stacking energy: -385.986 Base-Backbone interact. energy: -0.550 local terms energy: -365.863924 where: bonds (distance) C4'-P energy: -75.335 bonds (distance) P-C4' energy: -73.057 flat angles C4'-P-C4' energy: -81.628 flat angles P-C4'-P energy: -41.084 tors. eta vs tors. theta energy: -94.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1145.218320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.218320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.218320 (E_RNA) where: Base-Base interactions energy: -765.736 where: short stacking energy: -323.040 Base-Backbone interact. energy: -1.737 local terms energy: -377.745951 where: bonds (distance) C4'-P energy: -68.077 bonds (distance) P-C4' energy: -72.061 flat angles C4'-P-C4' energy: -94.039 flat angles P-C4'-P energy: -53.771 tors. eta vs tors. theta energy: -89.799 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: 2 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -898.975129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.975129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.975129 (E_RNA) where: Base-Base interactions energy: -580.344 where: short stacking energy: -297.729 Base-Backbone interact. energy: -0.313 local terms energy: -318.317830 where: bonds (distance) C4'-P energy: -64.281 bonds (distance) P-C4' energy: -73.429 flat angles C4'-P-C4' energy: -63.822 flat angles P-C4'-P energy: -51.359 tors. eta vs tors. theta energy: -65.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -830.634413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.634413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.634413 (E_RNA) where: Base-Base interactions energy: -529.062 where: short stacking energy: -258.900 Base-Backbone interact. energy: -0.437 local terms energy: -301.135106 where: bonds (distance) C4'-P energy: -66.605 bonds (distance) P-C4' energy: -76.194 flat angles C4'-P-C4' energy: -76.738 flat angles P-C4'-P energy: -28.752 tors. eta vs tors. theta energy: -52.846 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: 3 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -629.821192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.821192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.821192 (E_RNA) where: Base-Base interactions energy: -363.212 where: short stacking energy: -169.622 Base-Backbone interact. energy: -2.116 local terms energy: -264.494080 where: bonds (distance) C4'-P energy: -64.281 bonds (distance) P-C4' energy: -75.675 flat angles C4'-P-C4' energy: -66.667 flat angles P-C4'-P energy: -43.748 tors. eta vs tors. theta energy: -14.122 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: 4 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -484.820814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.820814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.820814 (E_RNA) where: Base-Base interactions energy: -232.230 where: short stacking energy: -149.615 Base-Backbone interact. energy: 6.184 local terms energy: -258.774914 where: bonds (distance) C4'-P energy: -74.095 bonds (distance) P-C4' energy: -84.300 flat angles C4'-P-C4' energy: -56.580 flat angles P-C4'-P energy: -41.743 tors. eta vs tors. theta energy: -2.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1466.396271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.396271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.396271 (E_RNA) where: Base-Base interactions energy: -1014.384 where: short stacking energy: -438.876 Base-Backbone interact. energy: -1.898 local terms energy: -450.114676 where: bonds (distance) C4'-P energy: -85.748 bonds (distance) P-C4' energy: -81.486 flat angles C4'-P-C4' energy: -93.712 flat angles P-C4'-P energy: -66.818 tors. eta vs tors. theta energy: -122.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1455.840523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.840523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.840523 (E_RNA) where: Base-Base interactions energy: -1008.715 where: short stacking energy: -459.152 Base-Backbone interact. energy: -0.498 local terms energy: -446.627414 where: bonds (distance) C4'-P energy: -85.532 bonds (distance) P-C4' energy: -84.030 flat angles C4'-P-C4' energy: -96.042 flat angles P-C4'-P energy: -46.093 tors. eta vs tors. theta energy: -134.932 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: 68 Temperature: 1.000000 Total energy: -1333.192506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.192506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.192506 (E_RNA) where: Base-Base interactions energy: -929.521 where: short stacking energy: -394.420 Base-Backbone interact. energy: -2.446 local terms energy: -401.225949 where: bonds (distance) C4'-P energy: -72.183 bonds (distance) P-C4' energy: -82.070 flat angles C4'-P-C4' energy: -87.936 flat angles P-C4'-P energy: -61.117 tors. eta vs tors. theta energy: -97.920 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: 68 Temperature: 1.050000 Total energy: -1319.444808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.444808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.444808 (E_RNA) where: Base-Base interactions energy: -921.395 where: short stacking energy: -382.878 Base-Backbone interact. energy: -0.907 local terms energy: -397.143020 where: bonds (distance) C4'-P energy: -78.276 bonds (distance) P-C4' energy: -75.346 flat angles C4'-P-C4' energy: -79.135 flat angles P-C4'-P energy: -57.548 tors. eta vs tors. theta energy: -106.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1185.796931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.796931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.796931 (E_RNA) where: Base-Base interactions energy: -806.758 where: short stacking energy: -355.449 Base-Backbone interact. energy: -2.137 local terms energy: -376.902172 where: bonds (distance) C4'-P energy: -62.369 bonds (distance) P-C4' energy: -68.956 flat angles C4'-P-C4' energy: -87.642 flat angles P-C4'-P energy: -61.111 tors. eta vs tors. theta energy: -96.824 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: 5 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1143.266777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.266777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.266777 (E_RNA) where: Base-Base interactions energy: -793.367 where: short stacking energy: -345.606 Base-Backbone interact. energy: -1.464 local terms energy: -348.435719 where: bonds (distance) C4'-P energy: -69.001 bonds (distance) P-C4' energy: -66.779 flat angles C4'-P-C4' energy: -92.420 flat angles P-C4'-P energy: -37.143 tors. eta vs tors. theta energy: -83.093 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: 2 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -913.325369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.325369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.325369 (E_RNA) where: Base-Base interactions energy: -575.190 where: short stacking energy: -252.212 Base-Backbone interact. energy: 2.866 local terms energy: -341.000876 where: bonds (distance) C4'-P energy: -76.946 bonds (distance) P-C4' energy: -84.767 flat angles C4'-P-C4' energy: -70.692 flat angles P-C4'-P energy: -54.593 tors. eta vs tors. theta energy: -54.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -822.735202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.735202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.735202 (E_RNA) where: Base-Base interactions energy: -508.113 where: short stacking energy: -228.643 Base-Backbone interact. energy: -0.168 local terms energy: -314.454304 where: bonds (distance) C4'-P energy: -76.114 bonds (distance) P-C4' energy: -87.048 flat angles C4'-P-C4' energy: -72.987 flat angles P-C4'-P energy: -38.041 tors. eta vs tors. theta energy: -40.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -630.743938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.743938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.743938 (E_RNA) where: Base-Base interactions energy: -369.222 where: short stacking energy: -191.540 Base-Backbone interact. energy: -3.287 local terms energy: -258.234545 where: bonds (distance) C4'-P energy: -61.286 bonds (distance) P-C4' energy: -77.192 flat angles C4'-P-C4' energy: -46.605 flat angles P-C4'-P energy: -59.133 tors. eta vs tors. theta energy: -14.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -523.271736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.271736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.271736 (E_RNA) where: Base-Base interactions energy: -263.654 where: short stacking energy: -160.590 Base-Backbone interact. energy: -0.858 local terms energy: -258.759277 where: bonds (distance) C4'-P energy: -63.721 bonds (distance) P-C4' energy: -82.114 flat angles C4'-P-C4' energy: -61.802 flat angles P-C4'-P energy: -30.639 tors. eta vs tors. theta energy: -20.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1465.675800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.675800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.675800 (E_RNA) where: Base-Base interactions energy: -1007.238 where: short stacking energy: -427.263 Base-Backbone interact. energy: 1.550 local terms energy: -459.988218 where: bonds (distance) C4'-P energy: -87.581 bonds (distance) P-C4' energy: -97.698 flat angles C4'-P-C4' energy: -96.554 flat angles P-C4'-P energy: -61.768 tors. eta vs tors. theta energy: -116.388 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: 10 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1430.077961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.077961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.077961 (E_RNA) where: Base-Base interactions energy: -995.182 where: short stacking energy: -429.353 Base-Backbone interact. energy: -1.578 local terms energy: -433.317959 where: bonds (distance) C4'-P energy: -75.164 bonds (distance) P-C4' energy: -89.658 flat angles C4'-P-C4' energy: -90.576 flat angles P-C4'-P energy: -58.272 tors. eta vs tors. theta energy: -119.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1360.096988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.096988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.096988 (E_RNA) where: Base-Base interactions energy: -950.482 where: short stacking energy: -402.272 Base-Backbone interact. energy: -2.516 local terms energy: -407.099223 where: bonds (distance) C4'-P energy: -70.193 bonds (distance) P-C4' energy: -87.067 flat angles C4'-P-C4' energy: -95.882 flat angles P-C4'-P energy: -49.050 tors. eta vs tors. theta energy: -104.906 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: 6 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1361.454950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.454950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.454950 (E_RNA) where: Base-Base interactions energy: -932.148 where: short stacking energy: -395.932 Base-Backbone interact. energy: -1.222 local terms energy: -428.084652 where: bonds (distance) C4'-P energy: -79.963 bonds (distance) P-C4' energy: -82.477 flat angles C4'-P-C4' energy: -87.137 flat angles P-C4'-P energy: -66.848 tors. eta vs tors. theta energy: -111.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1228.440248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.440248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.440248 (E_RNA) where: Base-Base interactions energy: -858.389 where: short stacking energy: -366.061 Base-Backbone interact. energy: -2.571 local terms energy: -367.480979 where: bonds (distance) C4'-P energy: -69.543 bonds (distance) P-C4' energy: -69.523 flat angles C4'-P-C4' energy: -74.047 flat angles P-C4'-P energy: -45.984 tors. eta vs tors. theta energy: -108.383 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: 69 Temperature: 1.150000 Total energy: -1150.968068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.968068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.968068 (E_RNA) where: Base-Base interactions energy: -777.345 where: short stacking energy: -335.377 Base-Backbone interact. energy: -1.711 local terms energy: -371.912283 where: bonds (distance) C4'-P energy: -74.357 bonds (distance) P-C4' energy: -71.387 flat angles C4'-P-C4' energy: -95.679 flat angles P-C4'-P energy: -52.082 tors. eta vs tors. theta energy: -78.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -855.517456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.517456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.517456 (E_RNA) where: Base-Base interactions energy: -564.696 where: short stacking energy: -257.478 Base-Backbone interact. energy: 1.998 local terms energy: -292.819198 where: bonds (distance) C4'-P energy: -66.771 bonds (distance) P-C4' energy: -79.779 flat angles C4'-P-C4' energy: -65.719 flat angles P-C4'-P energy: -36.758 tors. eta vs tors. theta energy: -43.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -832.136263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.136263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.136263 (E_RNA) where: Base-Base interactions energy: -523.516 where: short stacking energy: -252.081 Base-Backbone interact. energy: -1.483 local terms energy: -307.136597 where: bonds (distance) C4'-P energy: -74.467 bonds (distance) P-C4' energy: -66.695 flat angles C4'-P-C4' energy: -77.990 flat angles P-C4'-P energy: -36.820 tors. eta vs tors. theta energy: -51.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -650.440677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.440677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.440677 (E_RNA) where: Base-Base interactions energy: -378.858 where: short stacking energy: -195.209 Base-Backbone interact. energy: -1.521 local terms energy: -270.062032 where: bonds (distance) C4'-P energy: -56.083 bonds (distance) P-C4' energy: -80.522 flat angles C4'-P-C4' energy: -56.574 flat angles P-C4'-P energy: -51.218 tors. eta vs tors. theta energy: -25.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -513.227533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.227533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.227533 (E_RNA) where: Base-Base interactions energy: -244.460 where: short stacking energy: -137.685 Base-Backbone interact. energy: -0.582 local terms energy: -268.185412 where: bonds (distance) C4'-P energy: -69.519 bonds (distance) P-C4' energy: -82.324 flat angles C4'-P-C4' energy: -66.665 flat angles P-C4'-P energy: -41.867 tors. eta vs tors. theta energy: -7.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1481.319837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.319837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.319837 (E_RNA) where: Base-Base interactions energy: -1040.203 where: short stacking energy: -452.559 Base-Backbone interact. energy: -6.287 local terms energy: -434.830388 where: bonds (distance) C4'-P energy: -82.303 bonds (distance) P-C4' energy: -88.442 flat angles C4'-P-C4' energy: -93.637 flat angles P-C4'-P energy: -48.676 tors. eta vs tors. theta energy: -121.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1410.255999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.255999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.255999 (E_RNA) where: Base-Base interactions energy: -974.453 where: short stacking energy: -422.267 Base-Backbone interact. energy: 3.226 local terms energy: -439.029213 where: bonds (distance) C4'-P energy: -84.294 bonds (distance) P-C4' energy: -83.017 flat angles C4'-P-C4' energy: -90.481 flat angles P-C4'-P energy: -64.734 tors. eta vs tors. theta energy: -116.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1366.274100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.274100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.274100 (E_RNA) where: Base-Base interactions energy: -955.951 where: short stacking energy: -382.118 Base-Backbone interact. energy: 0.898 local terms energy: -411.220389 where: bonds (distance) C4'-P energy: -84.654 bonds (distance) P-C4' energy: -72.660 flat angles C4'-P-C4' energy: -86.553 flat angles P-C4'-P energy: -65.637 tors. eta vs tors. theta energy: -101.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1321.202590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.202590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.202590 (E_RNA) where: Base-Base interactions energy: -911.166 where: short stacking energy: -380.284 Base-Backbone interact. energy: -0.885 local terms energy: -409.152014 where: bonds (distance) C4'-P energy: -76.700 bonds (distance) P-C4' energy: -77.570 flat angles C4'-P-C4' energy: -90.823 flat angles P-C4'-P energy: -59.620 tors. eta vs tors. theta energy: -104.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1240.264898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.264898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.264898 (E_RNA) where: Base-Base interactions energy: -838.139 where: short stacking energy: -361.278 Base-Backbone interact. energy: -2.846 local terms energy: -399.280205 where: bonds (distance) C4'-P energy: -77.534 bonds (distance) P-C4' energy: -74.821 flat angles C4'-P-C4' energy: -84.625 flat angles P-C4'-P energy: -58.022 tors. eta vs tors. theta energy: -104.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1116.715216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.715216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.715216 (E_RNA) where: Base-Base interactions energy: -762.873 where: short stacking energy: -319.127 Base-Backbone interact. energy: -0.217 local terms energy: -353.624685 where: bonds (distance) C4'-P energy: -55.902 bonds (distance) P-C4' energy: -74.347 flat angles C4'-P-C4' energy: -89.752 flat angles P-C4'-P energy: -53.081 tors. eta vs tors. theta energy: -80.543 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: 7, replica: 9 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -871.958147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.958147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.958147 (E_RNA) where: Base-Base interactions energy: -531.908 where: short stacking energy: -270.442 Base-Backbone interact. energy: -2.951 local terms energy: -337.098805 where: bonds (distance) C4'-P energy: -77.978 bonds (distance) P-C4' energy: -76.207 flat angles C4'-P-C4' energy: -83.650 flat angles P-C4'-P energy: -38.398 tors. eta vs tors. theta energy: -60.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -839.304764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.304764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.304764 (E_RNA) where: Base-Base interactions energy: -557.379 where: short stacking energy: -262.781 Base-Backbone interact. energy: -1.282 local terms energy: -280.644081 where: bonds (distance) C4'-P energy: -62.301 bonds (distance) P-C4' energy: -72.791 flat angles C4'-P-C4' energy: -65.265 flat angles P-C4'-P energy: -39.662 tors. eta vs tors. theta energy: -40.625 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: 3 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -633.061142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.061142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.061142 (E_RNA) where: Base-Base interactions energy: -359.690 where: short stacking energy: -189.276 Base-Backbone interact. energy: -0.014 local terms energy: -273.356546 where: bonds (distance) C4'-P energy: -75.875 bonds (distance) P-C4' energy: -71.449 flat angles C4'-P-C4' energy: -63.893 flat angles P-C4'-P energy: -34.788 tors. eta vs tors. theta energy: -27.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -510.779736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.779736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.779736 (E_RNA) where: Base-Base interactions energy: -275.251 where: short stacking energy: -145.194 Base-Backbone interact. energy: -1.785 local terms energy: -233.743679 where: bonds (distance) C4'-P energy: -66.457 bonds (distance) P-C4' energy: -71.514 flat angles C4'-P-C4' energy: -68.775 flat angles P-C4'-P energy: -20.173 tors. eta vs tors. theta energy: -6.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1483.990013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.990013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.990013 (E_RNA) where: Base-Base interactions energy: -1016.547 where: short stacking energy: -467.276 Base-Backbone interact. energy: -1.235 local terms energy: -466.207999 where: bonds (distance) C4'-P energy: -85.408 bonds (distance) P-C4' energy: -86.836 flat angles C4'-P-C4' energy: -98.119 flat angles P-C4'-P energy: -65.445 tors. eta vs tors. theta energy: -130.400 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: 71 Temperature: 0.950000 Total energy: -1388.325151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.325151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.325151 (E_RNA) where: Base-Base interactions energy: -973.142 where: short stacking energy: -408.527 Base-Backbone interact. energy: -2.333 local terms energy: -412.849694 where: bonds (distance) C4'-P energy: -73.316 bonds (distance) P-C4' energy: -76.958 flat angles C4'-P-C4' energy: -91.727 flat angles P-C4'-P energy: -63.366 tors. eta vs tors. theta energy: -107.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1344.254060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.254060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.254060 (E_RNA) where: Base-Base interactions energy: -944.846 where: short stacking energy: -391.912 Base-Backbone interact. energy: -1.858 local terms energy: -397.549986 where: bonds (distance) C4'-P energy: -75.533 bonds (distance) P-C4' energy: -100.248 flat angles C4'-P-C4' energy: -86.743 flat angles P-C4'-P energy: -48.503 tors. eta vs tors. theta energy: -86.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1296.699284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.699284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.699284 (E_RNA) where: Base-Base interactions energy: -899.030 where: short stacking energy: -379.078 Base-Backbone interact. energy: 0.136 local terms energy: -397.805195 where: bonds (distance) C4'-P energy: -66.669 bonds (distance) P-C4' energy: -83.716 flat angles C4'-P-C4' energy: -91.844 flat angles P-C4'-P energy: -51.881 tors. eta vs tors. theta energy: -103.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1235.441387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.441387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.441387 (E_RNA) where: Base-Base interactions energy: -839.304 where: short stacking energy: -372.576 Base-Backbone interact. energy: -2.896 local terms energy: -393.241574 where: bonds (distance) C4'-P energy: -58.778 bonds (distance) P-C4' energy: -72.948 flat angles C4'-P-C4' energy: -86.857 flat angles P-C4'-P energy: -64.174 tors. eta vs tors. theta energy: -110.484 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: 5 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1098.358290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.358290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.358290 (E_RNA) where: Base-Base interactions energy: -744.080 where: short stacking energy: -328.658 Base-Backbone interact. energy: 0.141 local terms energy: -354.419117 where: bonds (distance) C4'-P energy: -71.932 bonds (distance) P-C4' energy: -74.283 flat angles C4'-P-C4' energy: -74.965 flat angles P-C4'-P energy: -48.437 tors. eta vs tors. theta energy: -84.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -892.150071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.150071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.150071 (E_RNA) where: Base-Base interactions energy: -590.879 where: short stacking energy: -268.915 Base-Backbone interact. energy: -0.540 local terms energy: -300.730130 where: bonds (distance) C4'-P energy: -74.491 bonds (distance) P-C4' energy: -61.594 flat angles C4'-P-C4' energy: -70.948 flat angles P-C4'-P energy: -37.012 tors. eta vs tors. theta energy: -56.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -845.837372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.837372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.837372 (E_RNA) where: Base-Base interactions energy: -553.332 where: short stacking energy: -269.080 Base-Backbone interact. energy: -1.156 local terms energy: -291.348460 where: bonds (distance) C4'-P energy: -61.649 bonds (distance) P-C4' energy: -85.878 flat angles C4'-P-C4' energy: -79.632 flat angles P-C4'-P energy: -33.021 tors. eta vs tors. theta energy: -31.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -640.490050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.490050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.490050 (E_RNA) where: Base-Base interactions energy: -374.726 where: short stacking energy: -186.316 Base-Backbone interact. energy: 0.710 local terms energy: -266.473307 where: bonds (distance) C4'-P energy: -64.277 bonds (distance) P-C4' energy: -76.140 flat angles C4'-P-C4' energy: -69.471 flat angles P-C4'-P energy: -42.747 tors. eta vs tors. theta energy: -13.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -548.796234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.796234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.796234 (E_RNA) where: Base-Base interactions energy: -276.620 where: short stacking energy: -168.263 Base-Backbone interact. energy: 2.477 local terms energy: -274.652726 where: bonds (distance) C4'-P energy: -64.935 bonds (distance) P-C4' energy: -82.345 flat angles C4'-P-C4' energy: -70.866 flat angles P-C4'-P energy: -38.152 tors. eta vs tors. theta energy: -18.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1479.095972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.095972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.095972 (E_RNA) where: Base-Base interactions energy: -995.700 where: short stacking energy: -447.188 Base-Backbone interact. energy: -2.693 local terms energy: -480.702981 where: bonds (distance) C4'-P energy: -92.117 bonds (distance) P-C4' energy: -82.901 flat angles C4'-P-C4' energy: -100.744 flat angles P-C4'-P energy: -72.754 tors. eta vs tors. theta energy: -132.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1391.894589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.894589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.894589 (E_RNA) where: Base-Base interactions energy: -947.176 where: short stacking energy: -392.771 Base-Backbone interact. energy: -0.493 local terms energy: -444.225846 where: bonds (distance) C4'-P energy: -93.402 bonds (distance) P-C4' energy: -77.996 flat angles C4'-P-C4' energy: -95.311 flat angles P-C4'-P energy: -67.239 tors. eta vs tors. theta energy: -110.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1354.114960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.114960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.114960 (E_RNA) where: Base-Base interactions energy: -957.595 where: short stacking energy: -383.972 Base-Backbone interact. energy: -1.019 local terms energy: -395.501852 where: bonds (distance) C4'-P energy: -68.515 bonds (distance) P-C4' energy: -76.150 flat angles C4'-P-C4' energy: -92.279 flat angles P-C4'-P energy: -61.053 tors. eta vs tors. theta energy: -97.505 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: 6 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1327.623721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.623721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.623721 (E_RNA) where: Base-Base interactions energy: -910.747 where: short stacking energy: -378.576 Base-Backbone interact. energy: -1.736 local terms energy: -415.140062 where: bonds (distance) C4'-P energy: -69.822 bonds (distance) P-C4' energy: -90.372 flat angles C4'-P-C4' energy: -94.123 flat angles P-C4'-P energy: -54.945 tors. eta vs tors. theta energy: -105.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1211.095898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.095898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.095898 (E_RNA) where: Base-Base interactions energy: -811.255 where: short stacking energy: -362.263 Base-Backbone interact. energy: -0.211 local terms energy: -399.629925 where: bonds (distance) C4'-P energy: -74.461 bonds (distance) P-C4' energy: -74.219 flat angles C4'-P-C4' energy: -87.295 flat angles P-C4'-P energy: -61.799 tors. eta vs tors. theta energy: -101.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1108.420199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.420199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.420199 (E_RNA) where: Base-Base interactions energy: -746.531 where: short stacking energy: -335.309 Base-Backbone interact. energy: -1.643 local terms energy: -360.246183 where: bonds (distance) C4'-P energy: -57.850 bonds (distance) P-C4' energy: -77.780 flat angles C4'-P-C4' energy: -84.952 flat angles P-C4'-P energy: -58.958 tors. eta vs tors. theta energy: -80.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -876.166995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.166995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.166995 (E_RNA) where: Base-Base interactions energy: -549.451 where: short stacking energy: -279.910 Base-Backbone interact. energy: -2.755 local terms energy: -323.960857 where: bonds (distance) C4'-P energy: -62.988 bonds (distance) P-C4' energy: -75.465 flat angles C4'-P-C4' energy: -73.282 flat angles P-C4'-P energy: -57.956 tors. eta vs tors. theta energy: -54.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -848.385047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.385047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.385047 (E_RNA) where: Base-Base interactions energy: -541.279 where: short stacking energy: -269.455 Base-Backbone interact. energy: -2.242 local terms energy: -304.863941 where: bonds (distance) C4'-P energy: -66.665 bonds (distance) P-C4' energy: -75.136 flat angles C4'-P-C4' energy: -69.875 flat angles P-C4'-P energy: -45.971 tors. eta vs tors. theta energy: -47.218 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: 3 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -628.328465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.328465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.328465 (E_RNA) where: Base-Base interactions energy: -365.329 where: short stacking energy: -182.985 Base-Backbone interact. energy: 0.497 local terms energy: -263.496645 where: bonds (distance) C4'-P energy: -73.024 bonds (distance) P-C4' energy: -66.662 flat angles C4'-P-C4' energy: -60.095 flat angles P-C4'-P energy: -29.514 tors. eta vs tors. theta energy: -34.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -506.398576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.398576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.398576 (E_RNA) where: Base-Base interactions energy: -251.887 where: short stacking energy: -134.193 Base-Backbone interact. energy: -1.245 local terms energy: -253.266549 where: bonds (distance) C4'-P energy: -65.788 bonds (distance) P-C4' energy: -81.033 flat angles C4'-P-C4' energy: -68.954 flat angles P-C4'-P energy: -37.093 tors. eta vs tors. theta energy: -0.398 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: 10 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1467.519570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.519570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.519570 (E_RNA) where: Base-Base interactions energy: -995.429 where: short stacking energy: -444.370 Base-Backbone interact. energy: -1.140 local terms energy: -470.950804 where: bonds (distance) C4'-P energy: -88.475 bonds (distance) P-C4' energy: -78.333 flat angles C4'-P-C4' energy: -101.787 flat angles P-C4'-P energy: -68.051 tors. eta vs tors. theta energy: -134.304 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: 8 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1399.592533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.592533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.592533 (E_RNA) where: Base-Base interactions energy: -986.423 where: short stacking energy: -409.169 Base-Backbone interact. energy: 2.299 local terms energy: -415.468575 where: bonds (distance) C4'-P energy: -69.445 bonds (distance) P-C4' energy: -81.224 flat angles C4'-P-C4' energy: -94.014 flat angles P-C4'-P energy: -58.808 tors. eta vs tors. theta energy: -111.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1364.061310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.061310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.061310 (E_RNA) where: Base-Base interactions energy: -973.104 where: short stacking energy: -386.007 Base-Backbone interact. energy: -0.432 local terms energy: -390.525706 where: bonds (distance) C4'-P energy: -73.084 bonds (distance) P-C4' energy: -87.467 flat angles C4'-P-C4' energy: -88.258 flat angles P-C4'-P energy: -48.515 tors. eta vs tors. theta energy: -93.202 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: 4, replica: 6 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1322.495034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.495034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.495034 (E_RNA) where: Base-Base interactions energy: -922.026 where: short stacking energy: -381.238 Base-Backbone interact. energy: -2.731 local terms energy: -397.738132 where: bonds (distance) C4'-P energy: -63.690 bonds (distance) P-C4' energy: -74.778 flat angles C4'-P-C4' energy: -100.451 flat angles P-C4'-P energy: -61.279 tors. eta vs tors. theta energy: -97.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1221.387659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.387659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.387659 (E_RNA) where: Base-Base interactions energy: -833.990 where: short stacking energy: -362.182 Base-Backbone interact. energy: -2.740 local terms energy: -384.658384 where: bonds (distance) C4'-P energy: -86.531 bonds (distance) P-C4' energy: -58.887 flat angles C4'-P-C4' energy: -93.259 flat angles P-C4'-P energy: -46.686 tors. eta vs tors. theta energy: -99.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1131.063879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.063879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.063879 (E_RNA) where: Base-Base interactions energy: -751.004 where: short stacking energy: -332.887 Base-Backbone interact. energy: 1.231 local terms energy: -381.291338 where: bonds (distance) C4'-P energy: -68.182 bonds (distance) P-C4' energy: -82.027 flat angles C4'-P-C4' energy: -84.618 flat angles P-C4'-P energy: -61.085 tors. eta vs tors. theta energy: -85.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -916.507093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.507093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.507093 (E_RNA) where: Base-Base interactions energy: -612.123 where: short stacking energy: -277.191 Base-Backbone interact. energy: 0.374 local terms energy: -304.758745 where: bonds (distance) C4'-P energy: -65.936 bonds (distance) P-C4' energy: -66.368 flat angles C4'-P-C4' energy: -73.292 flat angles P-C4'-P energy: -43.752 tors. eta vs tors. theta energy: -55.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -830.901885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.901885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.901885 (E_RNA) where: Base-Base interactions energy: -514.598 where: short stacking energy: -249.282 Base-Backbone interact. energy: 2.603 local terms energy: -318.906982 where: bonds (distance) C4'-P energy: -76.982 bonds (distance) P-C4' energy: -69.760 flat angles C4'-P-C4' energy: -75.113 flat angles P-C4'-P energy: -47.652 tors. eta vs tors. theta energy: -49.400 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: 3 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -584.476011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.476011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.476011 (E_RNA) where: Base-Base interactions energy: -320.728 where: short stacking energy: -164.461 Base-Backbone interact. energy: -0.236 local terms energy: -263.512062 where: bonds (distance) C4'-P energy: -62.013 bonds (distance) P-C4' energy: -66.124 flat angles C4'-P-C4' energy: -63.974 flat angles P-C4'-P energy: -51.088 tors. eta vs tors. theta energy: -20.313 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: 4 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -496.506583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.506583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.506583 (E_RNA) where: Base-Base interactions energy: -253.969 where: short stacking energy: -146.893 Base-Backbone interact. energy: 1.385 local terms energy: -243.922137 where: bonds (distance) C4'-P energy: -75.225 bonds (distance) P-C4' energy: -61.564 flat angles C4'-P-C4' energy: -67.107 flat angles P-C4'-P energy: -33.346 tors. eta vs tors. theta energy: -6.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1465.666172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.666172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.666172 (E_RNA) where: Base-Base interactions energy: -1016.284 where: short stacking energy: -446.950 Base-Backbone interact. energy: -1.624 local terms energy: -447.758561 where: bonds (distance) C4'-P energy: -81.968 bonds (distance) P-C4' energy: -92.620 flat angles C4'-P-C4' energy: -89.957 flat angles P-C4'-P energy: -54.138 tors. eta vs tors. theta energy: -129.076 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: 8 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1385.194060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.194060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.194060 (E_RNA) where: Base-Base interactions energy: -952.302 where: short stacking energy: -401.758 Base-Backbone interact. energy: -0.778 local terms energy: -432.114062 where: bonds (distance) C4'-P energy: -79.772 bonds (distance) P-C4' energy: -94.379 flat angles C4'-P-C4' energy: -91.987 flat angles P-C4'-P energy: -57.394 tors. eta vs tors. theta energy: -108.582 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: 1 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1369.082151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.082151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.082151 (E_RNA) where: Base-Base interactions energy: -944.404 where: short stacking energy: -386.838 Base-Backbone interact. energy: 2.496 local terms energy: -427.174054 where: bonds (distance) C4'-P energy: -78.931 bonds (distance) P-C4' energy: -84.841 flat angles C4'-P-C4' energy: -99.626 flat angles P-C4'-P energy: -57.782 tors. eta vs tors. theta energy: -105.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1322.497063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.497063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.497063 (E_RNA) where: Base-Base interactions energy: -905.043 where: short stacking energy: -369.976 Base-Backbone interact. energy: -0.368 local terms energy: -417.086131 where: bonds (distance) C4'-P energy: -70.753 bonds (distance) P-C4' energy: -82.932 flat angles C4'-P-C4' energy: -90.784 flat angles P-C4'-P energy: -68.906 tors. eta vs tors. theta energy: -103.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1181.045812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.045812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.045812 (E_RNA) where: Base-Base interactions energy: -792.717 where: short stacking energy: -350.617 Base-Backbone interact. energy: -1.655 local terms energy: -386.674182 where: bonds (distance) C4'-P energy: -77.525 bonds (distance) P-C4' energy: -83.259 flat angles C4'-P-C4' energy: -80.497 flat angles P-C4'-P energy: -50.782 tors. eta vs tors. theta energy: -94.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1122.836185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.836185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.836185 (E_RNA) where: Base-Base interactions energy: -750.853 where: short stacking energy: -346.133 Base-Backbone interact. energy: -2.980 local terms energy: -369.003463 where: bonds (distance) C4'-P energy: -76.762 bonds (distance) P-C4' energy: -64.731 flat angles C4'-P-C4' energy: -78.161 flat angles P-C4'-P energy: -60.470 tors. eta vs tors. theta energy: -88.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -954.549822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.549822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.549822 (E_RNA) where: Base-Base interactions energy: -631.346 where: short stacking energy: -284.521 Base-Backbone interact. energy: -0.919 local terms energy: -322.284331 where: bonds (distance) C4'-P energy: -71.010 bonds (distance) P-C4' energy: -69.196 flat angles C4'-P-C4' energy: -76.305 flat angles P-C4'-P energy: -39.665 tors. eta vs tors. theta energy: -66.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -925.950197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.950197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.950197 (E_RNA) where: Base-Base interactions energy: -597.410 where: short stacking energy: -259.488 Base-Backbone interact. energy: 2.176 local terms energy: -330.715620 where: bonds (distance) C4'-P energy: -62.307 bonds (distance) P-C4' energy: -73.244 flat angles C4'-P-C4' energy: -68.836 flat angles P-C4'-P energy: -57.355 tors. eta vs tors. theta energy: -68.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -627.534749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.534749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.534749 (E_RNA) where: Base-Base interactions energy: -365.513 where: short stacking energy: -207.540 Base-Backbone interact. energy: -1.238 local terms energy: -260.783625 where: bonds (distance) C4'-P energy: -48.850 bonds (distance) P-C4' energy: -67.896 flat angles C4'-P-C4' energy: -78.830 flat angles P-C4'-P energy: -44.256 tors. eta vs tors. theta energy: -20.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -512.216481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.216481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.216481 (E_RNA) where: Base-Base interactions energy: -277.962 where: short stacking energy: -148.332 Base-Backbone interact. energy: 0.666 local terms energy: -234.920736 where: bonds (distance) C4'-P energy: -64.755 bonds (distance) P-C4' energy: -63.233 flat angles C4'-P-C4' energy: -61.542 flat angles P-C4'-P energy: -36.412 tors. eta vs tors. theta energy: -8.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1476.412450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.412450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.412450 (E_RNA) where: Base-Base interactions energy: -998.644 where: short stacking energy: -432.586 Base-Backbone interact. energy: -1.082 local terms energy: -476.686796 where: bonds (distance) C4'-P energy: -91.160 bonds (distance) P-C4' energy: -89.643 flat angles C4'-P-C4' energy: -105.538 flat angles P-C4'-P energy: -59.772 tors. eta vs tors. theta energy: -130.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1394.394676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.394676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.394676 (E_RNA) where: Base-Base interactions energy: -962.219 where: short stacking energy: -402.636 Base-Backbone interact. energy: -2.972 local terms energy: -429.203430 where: bonds (distance) C4'-P energy: -80.656 bonds (distance) P-C4' energy: -86.934 flat angles C4'-P-C4' energy: -87.365 flat angles P-C4'-P energy: -62.171 tors. eta vs tors. theta energy: -112.078 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: 8 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1340.748355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.748355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.748355 (E_RNA) where: Base-Base interactions energy: -929.785 where: short stacking energy: -391.659 Base-Backbone interact. energy: -2.643 local terms energy: -408.319992 where: bonds (distance) C4'-P energy: -70.135 bonds (distance) P-C4' energy: -74.674 flat angles C4'-P-C4' energy: -99.075 flat angles P-C4'-P energy: -56.827 tors. eta vs tors. theta energy: -107.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1342.889746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.889746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.889746 (E_RNA) where: Base-Base interactions energy: -909.785 where: short stacking energy: -390.487 Base-Backbone interact. energy: -0.984 local terms energy: -432.121045 where: bonds (distance) C4'-P energy: -85.732 bonds (distance) P-C4' energy: -79.764 flat angles C4'-P-C4' energy: -88.031 flat angles P-C4'-P energy: -68.848 tors. eta vs tors. theta energy: -109.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1172.109280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.109280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.109280 (E_RNA) where: Base-Base interactions energy: -780.667 where: short stacking energy: -368.257 Base-Backbone interact. energy: -0.966 local terms energy: -390.475418 where: bonds (distance) C4'-P energy: -69.244 bonds (distance) P-C4' energy: -87.010 flat angles C4'-P-C4' energy: -91.246 flat angles P-C4'-P energy: -44.255 tors. eta vs tors. theta energy: -98.721 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: 75 Temperature: 1.150000 Total energy: -1099.424361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.424361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.424361 (E_RNA) where: Base-Base interactions energy: -748.111 where: short stacking energy: -296.491 Base-Backbone interact. energy: -1.373 local terms energy: -349.940392 where: bonds (distance) C4'-P energy: -79.424 bonds (distance) P-C4' energy: -59.300 flat angles C4'-P-C4' energy: -72.209 flat angles P-C4'-P energy: -55.206 tors. eta vs tors. theta energy: -83.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1014.000082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.000082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.000082 (E_RNA) where: Base-Base interactions energy: -673.966 where: short stacking energy: -321.458 Base-Backbone interact. energy: -1.747 local terms energy: -338.287132 where: bonds (distance) C4'-P energy: -68.848 bonds (distance) P-C4' energy: -74.394 flat angles C4'-P-C4' energy: -76.788 flat angles P-C4'-P energy: -45.889 tors. eta vs tors. theta energy: -72.368 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: 75 Temperature: 1.250000 Total energy: -954.955649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.955649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.955649 (E_RNA) where: Base-Base interactions energy: -645.409 where: short stacking energy: -312.301 Base-Backbone interact. energy: -2.074 local terms energy: -307.472398 where: bonds (distance) C4'-P energy: -67.651 bonds (distance) P-C4' energy: -74.671 flat angles C4'-P-C4' energy: -77.763 flat angles P-C4'-P energy: -17.623 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: 9, replica: 3 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -662.729478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.729478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.729478 (E_RNA) where: Base-Base interactions energy: -381.325 where: short stacking energy: -176.228 Base-Backbone interact. energy: 1.905 local terms energy: -283.309118 where: bonds (distance) C4'-P energy: -74.054 bonds (distance) P-C4' energy: -78.223 flat angles C4'-P-C4' energy: -64.226 flat angles P-C4'-P energy: -47.958 tors. eta vs tors. theta energy: -18.848 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: 4 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -438.483301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.483301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.483301 (E_RNA) where: Base-Base interactions energy: -210.526 where: short stacking energy: -127.548 Base-Backbone interact. energy: -1.489 local terms energy: -226.468055 where: bonds (distance) C4'-P energy: -65.651 bonds (distance) P-C4' energy: -78.284 flat angles C4'-P-C4' energy: -58.928 flat angles P-C4'-P energy: -33.804 tors. eta vs tors. theta energy: 10.199 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: 10 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1456.401477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.401477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.401477 (E_RNA) where: Base-Base interactions energy: -1007.734 where: short stacking energy: -412.957 Base-Backbone interact. energy: -1.906 local terms energy: -446.761685 where: bonds (distance) C4'-P energy: -78.783 bonds (distance) P-C4' energy: -85.240 flat angles C4'-P-C4' energy: -93.885 flat angles P-C4'-P energy: -59.432 tors. eta vs tors. theta energy: -129.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1357.038665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.038665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.038665 (E_RNA) where: Base-Base interactions energy: -927.824 where: short stacking energy: -381.318 Base-Backbone interact. energy: -1.867 local terms energy: -427.347239 where: bonds (distance) C4'-P energy: -78.678 bonds (distance) P-C4' energy: -87.995 flat angles C4'-P-C4' energy: -92.313 flat angles P-C4'-P energy: -62.565 tors. eta vs tors. theta energy: -105.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1360.037764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.037764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.037764 (E_RNA) where: Base-Base interactions energy: -941.682 where: short stacking energy: -419.344 Base-Backbone interact. energy: -2.884 local terms energy: -415.471632 where: bonds (distance) C4'-P energy: -74.433 bonds (distance) P-C4' energy: -88.219 flat angles C4'-P-C4' energy: -89.166 flat angles P-C4'-P energy: -56.038 tors. eta vs tors. theta energy: -107.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1331.580571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.580571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.580571 (E_RNA) where: Base-Base interactions energy: -905.959 where: short stacking energy: -376.260 Base-Backbone interact. energy: -2.011 local terms energy: -423.610300 where: bonds (distance) C4'-P energy: -84.760 bonds (distance) P-C4' energy: -84.829 flat angles C4'-P-C4' energy: -88.695 flat angles P-C4'-P energy: -62.582 tors. eta vs tors. theta energy: -102.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1183.723889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.723889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.723889 (E_RNA) where: Base-Base interactions energy: -801.924 where: short stacking energy: -357.453 Base-Backbone interact. energy: -2.924 local terms energy: -378.875433 where: bonds (distance) C4'-P energy: -70.163 bonds (distance) P-C4' energy: -81.632 flat angles C4'-P-C4' energy: -81.612 flat angles P-C4'-P energy: -57.741 tors. eta vs tors. theta energy: -87.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1092.645480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.645480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.645480 (E_RNA) where: Base-Base interactions energy: -721.145 where: short stacking energy: -325.960 Base-Backbone interact. energy: -0.354 local terms energy: -371.146637 where: bonds (distance) C4'-P energy: -77.414 bonds (distance) P-C4' energy: -86.216 flat angles C4'-P-C4' energy: -76.928 flat angles P-C4'-P energy: -52.384 tors. eta vs tors. theta energy: -78.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -979.498385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.498385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.498385 (E_RNA) where: Base-Base interactions energy: -648.951 where: short stacking energy: -303.278 Base-Backbone interact. energy: -1.864 local terms energy: -328.682972 where: bonds (distance) C4'-P energy: -67.540 bonds (distance) P-C4' energy: -81.575 flat angles C4'-P-C4' energy: -73.850 flat angles P-C4'-P energy: -40.219 tors. eta vs tors. theta energy: -65.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -918.873272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.873272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.873272 (E_RNA) where: Base-Base interactions energy: -596.925 where: short stacking energy: -277.207 Base-Backbone interact. energy: 4.429 local terms energy: -326.377371 where: bonds (distance) C4'-P energy: -68.458 bonds (distance) P-C4' energy: -84.362 flat angles C4'-P-C4' energy: -70.792 flat angles P-C4'-P energy: -45.996 tors. eta vs tors. theta energy: -56.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -611.046140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.046140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.046140 (E_RNA) where: Base-Base interactions energy: -358.477 where: short stacking energy: -198.656 Base-Backbone interact. energy: 0.176 local terms energy: -252.744278 where: bonds (distance) C4'-P energy: -63.216 bonds (distance) P-C4' energy: -67.815 flat angles C4'-P-C4' energy: -60.150 flat angles P-C4'-P energy: -47.453 tors. eta vs tors. theta energy: -14.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -408.793219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.793219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.793219 (E_RNA) where: Base-Base interactions energy: -170.938 where: short stacking energy: -122.276 Base-Backbone interact. energy: -0.033 local terms energy: -237.822050 where: bonds (distance) C4'-P energy: -68.952 bonds (distance) P-C4' energy: -74.142 flat angles C4'-P-C4' energy: -51.434 flat angles P-C4'-P energy: -42.871 tors. eta vs tors. theta energy: -0.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1448.884110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.884110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.884110 (E_RNA) where: Base-Base interactions energy: -996.634 where: short stacking energy: -453.383 Base-Backbone interact. energy: -2.862 local terms energy: -449.388028 where: bonds (distance) C4'-P energy: -83.872 bonds (distance) P-C4' energy: -82.747 flat angles C4'-P-C4' energy: -93.190 flat angles P-C4'-P energy: -64.638 tors. eta vs tors. theta energy: -124.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1394.304984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.304984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.304984 (E_RNA) where: Base-Base interactions energy: -948.803 where: short stacking energy: -409.177 Base-Backbone interact. energy: -2.300 local terms energy: -443.201260 where: bonds (distance) C4'-P energy: -87.523 bonds (distance) P-C4' energy: -87.464 flat angles C4'-P-C4' energy: -87.350 flat angles P-C4'-P energy: -62.944 tors. eta vs tors. theta energy: -117.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1368.012375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.012375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.012375 (E_RNA) where: Base-Base interactions energy: -943.129 where: short stacking energy: -391.958 Base-Backbone interact. energy: -2.208 local terms energy: -422.675608 where: bonds (distance) C4'-P energy: -84.688 bonds (distance) P-C4' energy: -92.333 flat angles C4'-P-C4' energy: -94.556 flat angles P-C4'-P energy: -51.426 tors. eta vs tors. theta energy: -99.672 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: 6 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1366.611232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.611232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.611232 (E_RNA) where: Base-Base interactions energy: -954.376 where: short stacking energy: -416.895 Base-Backbone interact. energy: -1.480 local terms energy: -410.755130 where: bonds (distance) C4'-P energy: -80.255 bonds (distance) P-C4' energy: -66.163 flat angles C4'-P-C4' energy: -94.768 flat angles P-C4'-P energy: -55.536 tors. eta vs tors. theta energy: -114.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1193.337738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.337738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.337738 (E_RNA) where: Base-Base interactions energy: -802.283 where: short stacking energy: -362.870 Base-Backbone interact. energy: -3.869 local terms energy: -387.186520 where: bonds (distance) C4'-P energy: -80.983 bonds (distance) P-C4' energy: -78.338 flat angles C4'-P-C4' energy: -76.551 flat angles P-C4'-P energy: -54.555 tors. eta vs tors. theta energy: -96.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1103.288875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.288875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.288875 (E_RNA) where: Base-Base interactions energy: -736.545 where: short stacking energy: -343.675 Base-Backbone interact. energy: -2.517 local terms energy: -364.226310 where: bonds (distance) C4'-P energy: -75.410 bonds (distance) P-C4' energy: -71.774 flat angles C4'-P-C4' energy: -77.353 flat angles P-C4'-P energy: -52.953 tors. eta vs tors. theta energy: -86.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -985.712433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.712433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.712433 (E_RNA) where: Base-Base interactions energy: -635.894 where: short stacking energy: -301.382 Base-Backbone interact. energy: -1.493 local terms energy: -348.325422 where: bonds (distance) C4'-P energy: -66.264 bonds (distance) P-C4' energy: -88.041 flat angles C4'-P-C4' energy: -82.047 flat angles P-C4'-P energy: -52.129 tors. eta vs tors. theta energy: -59.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -930.519167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.519167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.519167 (E_RNA) where: Base-Base interactions energy: -620.256 where: short stacking energy: -271.964 Base-Backbone interact. energy: -5.966 local terms energy: -304.297008 where: bonds (distance) C4'-P energy: -57.006 bonds (distance) P-C4' energy: -65.008 flat angles C4'-P-C4' energy: -86.035 flat angles P-C4'-P energy: -35.663 tors. eta vs tors. theta energy: -60.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -651.317112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.317112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.317112 (E_RNA) where: Base-Base interactions energy: -394.341 where: short stacking energy: -187.397 Base-Backbone interact. energy: -0.400 local terms energy: -256.576274 where: bonds (distance) C4'-P energy: -66.219 bonds (distance) P-C4' energy: -75.486 flat angles C4'-P-C4' energy: -67.890 flat angles P-C4'-P energy: -26.845 tors. eta vs tors. theta energy: -20.136 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: 4 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -362.282173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.282173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.282173 (E_RNA) where: Base-Base interactions energy: -133.336 where: short stacking energy: -105.043 Base-Backbone interact. energy: 2.187 local terms energy: -231.133898 where: bonds (distance) C4'-P energy: -72.536 bonds (distance) P-C4' energy: -76.894 flat angles C4'-P-C4' energy: -60.211 flat angles P-C4'-P energy: -33.054 tors. eta vs tors. theta energy: 11.561 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: 10 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1464.832777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.832777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.832777 (E_RNA) where: Base-Base interactions energy: -1020.493 where: short stacking energy: -431.619 Base-Backbone interact. energy: -0.968 local terms energy: -443.371550 where: bonds (distance) C4'-P energy: -82.902 bonds (distance) P-C4' energy: -82.604 flat angles C4'-P-C4' energy: -91.913 flat angles P-C4'-P energy: -55.660 tors. eta vs tors. theta energy: -130.292 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: 8 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1413.123797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.123797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.123797 (E_RNA) where: Base-Base interactions energy: -972.885 where: short stacking energy: -419.404 Base-Backbone interact. energy: -2.065 local terms energy: -438.174202 where: bonds (distance) C4'-P energy: -81.265 bonds (distance) P-C4' energy: -79.327 flat angles C4'-P-C4' energy: -87.575 flat angles P-C4'-P energy: -68.336 tors. eta vs tors. theta energy: -121.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1389.024761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.024761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.024761 (E_RNA) where: Base-Base interactions energy: -977.874 where: short stacking energy: -407.481 Base-Backbone interact. energy: 0.206 local terms energy: -411.357718 where: bonds (distance) C4'-P energy: -80.248 bonds (distance) P-C4' energy: -89.847 flat angles C4'-P-C4' energy: -87.627 flat angles P-C4'-P energy: -54.165 tors. eta vs tors. theta energy: -99.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1288.534455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.534455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.534455 (E_RNA) where: Base-Base interactions energy: -885.897 where: short stacking energy: -390.399 Base-Backbone interact. energy: -2.508 local terms energy: -400.129353 where: bonds (distance) C4'-P energy: -71.267 bonds (distance) P-C4' energy: -87.524 flat angles C4'-P-C4' energy: -88.669 flat angles P-C4'-P energy: -51.550 tors. eta vs tors. theta energy: -101.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1191.337942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.337942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.337942 (E_RNA) where: Base-Base interactions energy: -805.349 where: short stacking energy: -377.196 Base-Backbone interact. energy: 0.615 local terms energy: -386.604002 where: bonds (distance) C4'-P energy: -65.037 bonds (distance) P-C4' energy: -72.445 flat angles C4'-P-C4' energy: -82.098 flat angles P-C4'-P energy: -56.565 tors. eta vs tors. theta energy: -110.458 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: 5 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1096.674226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.674226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.674226 (E_RNA) where: Base-Base interactions energy: -744.607 where: short stacking energy: -330.582 Base-Backbone interact. energy: -1.393 local terms energy: -350.674623 where: bonds (distance) C4'-P energy: -70.612 bonds (distance) P-C4' energy: -70.668 flat angles C4'-P-C4' energy: -74.857 flat angles P-C4'-P energy: -53.947 tors. eta vs tors. theta energy: -80.591 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: 78 Temperature: 1.200000 Total energy: -995.301578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.301578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.301578 (E_RNA) where: Base-Base interactions energy: -666.977 where: short stacking energy: -294.278 Base-Backbone interact. energy: 2.361 local terms energy: -330.685586 where: bonds (distance) C4'-P energy: -66.109 bonds (distance) P-C4' energy: -76.255 flat angles C4'-P-C4' energy: -81.751 flat angles P-C4'-P energy: -52.717 tors. eta vs tors. theta energy: -53.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -988.254039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.254039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.254039 (E_RNA) where: Base-Base interactions energy: -655.596 where: short stacking energy: -311.596 Base-Backbone interact. energy: -2.880 local terms energy: -329.777815 where: bonds (distance) C4'-P energy: -59.152 bonds (distance) P-C4' energy: -84.873 flat angles C4'-P-C4' energy: -62.007 flat angles P-C4'-P energy: -51.126 tors. eta vs tors. theta energy: -72.620 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: 3 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -676.626147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.626147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.626147 (E_RNA) where: Base-Base interactions energy: -395.456 where: short stacking energy: -211.272 Base-Backbone interact. energy: -0.440 local terms energy: -280.730226 where: bonds (distance) C4'-P energy: -67.400 bonds (distance) P-C4' energy: -76.738 flat angles C4'-P-C4' energy: -66.241 flat angles P-C4'-P energy: -47.899 tors. eta vs tors. theta energy: -22.451 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: 4 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -342.633797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.633797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.633797 (E_RNA) where: Base-Base interactions energy: -128.189 where: short stacking energy: -118.321 Base-Backbone interact. energy: -1.721 local terms energy: -212.724414 where: bonds (distance) C4'-P energy: -71.051 bonds (distance) P-C4' energy: -60.929 flat angles C4'-P-C4' energy: -60.762 flat angles P-C4'-P energy: -31.288 tors. eta vs tors. theta energy: 11.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1483.979295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.979295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.979295 (E_RNA) where: Base-Base interactions energy: -1028.974 where: short stacking energy: -446.499 Base-Backbone interact. energy: -0.607 local terms energy: -454.398281 where: bonds (distance) C4'-P energy: -85.165 bonds (distance) P-C4' energy: -88.870 flat angles C4'-P-C4' energy: -95.953 flat angles P-C4'-P energy: -54.394 tors. eta vs tors. theta energy: -130.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1430.045473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.045473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.045473 (E_RNA) where: Base-Base interactions energy: -985.758 where: short stacking energy: -431.040 Base-Backbone interact. energy: -5.183 local terms energy: -439.104693 where: bonds (distance) C4'-P energy: -80.497 bonds (distance) P-C4' energy: -84.202 flat angles C4'-P-C4' energy: -92.998 flat angles P-C4'-P energy: -63.550 tors. eta vs tors. theta energy: -117.857 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: 6 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1376.510687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.510687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.510687 (E_RNA) where: Base-Base interactions energy: -936.116 where: short stacking energy: -396.192 Base-Backbone interact. energy: 1.378 local terms energy: -441.772744 where: bonds (distance) C4'-P energy: -83.065 bonds (distance) P-C4' energy: -99.628 flat angles C4'-P-C4' energy: -87.333 flat angles P-C4'-P energy: -63.265 tors. eta vs tors. theta energy: -108.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1303.448457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.448457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.448457 (E_RNA) where: Base-Base interactions energy: -897.026 where: short stacking energy: -370.849 Base-Backbone interact. energy: -2.259 local terms energy: -404.163378 where: bonds (distance) C4'-P energy: -80.639 bonds (distance) P-C4' energy: -72.442 flat angles C4'-P-C4' energy: -84.820 flat angles P-C4'-P energy: -64.786 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: 5, replica: 7 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1208.315356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.315356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.315356 (E_RNA) where: Base-Base interactions energy: -824.027 where: short stacking energy: -352.802 Base-Backbone interact. energy: -1.658 local terms energy: -382.630690 where: bonds (distance) C4'-P energy: -70.850 bonds (distance) P-C4' energy: -71.679 flat angles C4'-P-C4' energy: -84.754 flat angles P-C4'-P energy: -59.052 tors. eta vs tors. theta energy: -96.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1117.441604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.441604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.441604 (E_RNA) where: Base-Base interactions energy: -757.660 where: short stacking energy: -328.745 Base-Backbone interact. energy: 3.920 local terms energy: -363.701229 where: bonds (distance) C4'-P energy: -77.018 bonds (distance) P-C4' energy: -67.333 flat angles C4'-P-C4' energy: -90.762 flat angles P-C4'-P energy: -38.861 tors. eta vs tors. theta energy: -89.726 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: 2 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -973.714807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.714807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.714807 (E_RNA) where: Base-Base interactions energy: -623.413 where: short stacking energy: -303.619 Base-Backbone interact. energy: -1.417 local terms energy: -348.885184 where: bonds (distance) C4'-P energy: -72.545 bonds (distance) P-C4' energy: -71.606 flat angles C4'-P-C4' energy: -73.364 flat angles P-C4'-P energy: -60.938 tors. eta vs tors. theta energy: -70.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -962.298418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.298418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.298418 (E_RNA) where: Base-Base interactions energy: -636.119 where: short stacking energy: -276.692 Base-Backbone interact. energy: -2.298 local terms energy: -323.881494 where: bonds (distance) C4'-P energy: -72.458 bonds (distance) P-C4' energy: -68.922 flat angles C4'-P-C4' energy: -75.887 flat angles P-C4'-P energy: -44.428 tors. eta vs tors. theta energy: -62.186 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: 3 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -662.251383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.251383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.251383 (E_RNA) where: Base-Base interactions energy: -393.188 where: short stacking energy: -192.035 Base-Backbone interact. energy: 0.276 local terms energy: -269.339338 where: bonds (distance) C4'-P energy: -74.108 bonds (distance) P-C4' energy: -76.196 flat angles C4'-P-C4' energy: -68.352 flat angles P-C4'-P energy: -34.057 tors. eta vs tors. theta energy: -16.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -343.101491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.101491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.101491 (E_RNA) where: Base-Base interactions energy: -135.487 where: short stacking energy: -118.477 Base-Backbone interact. energy: -0.325 local terms energy: -207.289542 where: bonds (distance) C4'-P energy: -61.846 bonds (distance) P-C4' energy: -74.442 flat angles C4'-P-C4' energy: -59.921 flat angles P-C4'-P energy: -22.457 tors. eta vs tors. theta energy: 11.375 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: 1, replica: 8 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1421.037302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.037302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.037302 (E_RNA) where: Base-Base interactions energy: -971.265 where: short stacking energy: -429.276 Base-Backbone interact. energy: -3.825 local terms energy: -445.947226 where: bonds (distance) C4'-P energy: -78.913 bonds (distance) P-C4' energy: -94.989 flat angles C4'-P-C4' energy: -89.573 flat angles P-C4'-P energy: -59.797 tors. eta vs tors. theta energy: -122.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1458.030174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.030174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.030174 (E_RNA) where: Base-Base interactions energy: -1014.975 where: short stacking energy: -447.820 Base-Backbone interact. energy: -0.039 local terms energy: -443.016242 where: bonds (distance) C4'-P energy: -86.960 bonds (distance) P-C4' energy: -78.623 flat angles C4'-P-C4' energy: -91.436 flat angles P-C4'-P energy: -52.764 tors. eta vs tors. theta energy: -133.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1365.604747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.604747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.604747 (E_RNA) where: Base-Base interactions energy: -975.504 where: short stacking energy: -385.602 Base-Backbone interact. energy: -1.897 local terms energy: -388.203577 where: bonds (distance) C4'-P energy: -63.093 bonds (distance) P-C4' energy: -74.214 flat angles C4'-P-C4' energy: -92.925 flat angles P-C4'-P energy: -50.611 tors. eta vs tors. theta energy: -107.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1310.755860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.755860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.755860 (E_RNA) where: Base-Base interactions energy: -905.858 where: short stacking energy: -388.798 Base-Backbone interact. energy: -0.074 local terms energy: -404.824260 where: bonds (distance) C4'-P energy: -74.943 bonds (distance) P-C4' energy: -80.842 flat angles C4'-P-C4' energy: -88.032 flat angles P-C4'-P energy: -58.970 tors. eta vs tors. theta energy: -102.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1210.868065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.868065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.868065 (E_RNA) where: Base-Base interactions energy: -813.462 where: short stacking energy: -365.411 Base-Backbone interact. energy: -2.250 local terms energy: -395.155733 where: bonds (distance) C4'-P energy: -82.862 bonds (distance) P-C4' energy: -75.254 flat angles C4'-P-C4' energy: -76.906 flat angles P-C4'-P energy: -56.051 tors. eta vs tors. theta energy: -104.084 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: 80 Temperature: 1.150000 Total energy: -1149.200160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.200160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.200160 (E_RNA) where: Base-Base interactions energy: -785.618 where: short stacking energy: -330.473 Base-Backbone interact. energy: -2.523 local terms energy: -361.058428 where: bonds (distance) C4'-P energy: -75.751 bonds (distance) P-C4' energy: -69.366 flat angles C4'-P-C4' energy: -89.580 flat angles P-C4'-P energy: -45.724 tors. eta vs tors. theta energy: -80.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1050.262249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.262249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.262249 (E_RNA) where: Base-Base interactions energy: -690.729 where: short stacking energy: -315.500 Base-Backbone interact. energy: -1.519 local terms energy: -358.014078 where: bonds (distance) C4'-P energy: -61.382 bonds (distance) P-C4' energy: -77.231 flat angles C4'-P-C4' energy: -84.641 flat angles P-C4'-P energy: -47.746 tors. eta vs tors. theta energy: -87.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -878.300651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.300651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.300651 (E_RNA) where: Base-Base interactions energy: -592.635 where: short stacking energy: -270.646 Base-Backbone interact. energy: -1.438 local terms energy: -284.227413 where: bonds (distance) C4'-P energy: -52.237 bonds (distance) P-C4' energy: -71.360 flat angles C4'-P-C4' energy: -66.578 flat angles P-C4'-P energy: -46.427 tors. eta vs tors. theta energy: -47.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -678.948603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.948603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.948603 (E_RNA) where: Base-Base interactions energy: -417.073 where: short stacking energy: -215.408 Base-Backbone interact. energy: -1.287 local terms energy: -260.588465 where: bonds (distance) C4'-P energy: -60.163 bonds (distance) P-C4' energy: -53.654 flat angles C4'-P-C4' energy: -67.149 flat angles P-C4'-P energy: -41.802 tors. eta vs tors. theta energy: -37.819 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: 4 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -362.395148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.395148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.395148 (E_RNA) where: Base-Base interactions energy: -137.400 where: short stacking energy: -99.289 Base-Backbone interact. energy: 1.976 local terms energy: -226.971818 where: bonds (distance) C4'-P energy: -65.728 bonds (distance) P-C4' energy: -76.083 flat angles C4'-P-C4' energy: -52.110 flat angles P-C4'-P energy: -40.551 tors. eta vs tors. theta energy: 7.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1437.116822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.116822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.116822 (E_RNA) where: Base-Base interactions energy: -999.233 where: short stacking energy: -424.510 Base-Backbone interact. energy: -0.882 local terms energy: -437.001827 where: bonds (distance) C4'-P energy: -76.413 bonds (distance) P-C4' energy: -86.227 flat angles C4'-P-C4' energy: -95.101 flat angles P-C4'-P energy: -62.457 tors. eta vs tors. theta energy: -116.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1420.208737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.208737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.208737 (E_RNA) where: Base-Base interactions energy: -990.008 where: short stacking energy: -422.101 Base-Backbone interact. energy: -3.664 local terms energy: -426.536587 where: bonds (distance) C4'-P energy: -72.131 bonds (distance) P-C4' energy: -84.248 flat angles C4'-P-C4' energy: -95.927 flat angles P-C4'-P energy: -56.156 tors. eta vs tors. theta energy: -118.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1368.421864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.421864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.421864 (E_RNA) where: Base-Base interactions energy: -965.141 where: short stacking energy: -421.800 Base-Backbone interact. energy: -1.407 local terms energy: -401.874350 where: bonds (distance) C4'-P energy: -67.774 bonds (distance) P-C4' energy: -84.095 flat angles C4'-P-C4' energy: -84.303 flat angles P-C4'-P energy: -58.261 tors. eta vs tors. theta energy: -107.442 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: 1 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1285.833723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.833723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.833723 (E_RNA) where: Base-Base interactions energy: -903.877 where: short stacking energy: -376.139 Base-Backbone interact. energy: -0.618 local terms energy: -381.338463 where: bonds (distance) C4'-P energy: -84.630 bonds (distance) P-C4' energy: -71.639 flat angles C4'-P-C4' energy: -80.567 flat angles P-C4'-P energy: -46.712 tors. eta vs tors. theta energy: -97.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1189.218241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.218241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.218241 (E_RNA) where: Base-Base interactions energy: -782.597 where: short stacking energy: -346.442 Base-Backbone interact. energy: -2.279 local terms energy: -404.342287 where: bonds (distance) C4'-P energy: -70.296 bonds (distance) P-C4' energy: -83.649 flat angles C4'-P-C4' energy: -90.508 flat angles P-C4'-P energy: -61.940 tors. eta vs tors. theta energy: -97.949 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: 6, replica: 5 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1184.249980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.249980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.249980 (E_RNA) where: Base-Base interactions energy: -817.746 where: short stacking energy: -379.390 Base-Backbone interact. energy: -1.363 local terms energy: -365.141406 where: bonds (distance) C4'-P energy: -60.023 bonds (distance) P-C4' energy: -72.119 flat angles C4'-P-C4' energy: -77.528 flat angles P-C4'-P energy: -54.954 tors. eta vs tors. theta energy: -100.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1028.380187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.380187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.380187 (E_RNA) where: Base-Base interactions energy: -702.797 where: short stacking energy: -305.712 Base-Backbone interact. energy: -0.047 local terms energy: -325.535488 where: bonds (distance) C4'-P energy: -57.424 bonds (distance) P-C4' energy: -75.895 flat angles C4'-P-C4' energy: -78.562 flat angles P-C4'-P energy: -38.402 tors. eta vs tors. theta energy: -75.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -899.565189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.565189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.565189 (E_RNA) where: Base-Base interactions energy: -592.370 where: short stacking energy: -271.649 Base-Backbone interact. energy: -0.737 local terms energy: -306.458338 where: bonds (distance) C4'-P energy: -78.228 bonds (distance) P-C4' energy: -72.799 flat angles C4'-P-C4' energy: -60.453 flat angles P-C4'-P energy: -48.689 tors. eta vs tors. theta energy: -46.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -671.307405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.307405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.307405 (E_RNA) where: Base-Base interactions energy: -379.609 where: short stacking energy: -194.763 Base-Backbone interact. energy: -0.329 local terms energy: -291.369638 where: bonds (distance) C4'-P energy: -72.071 bonds (distance) P-C4' energy: -78.697 flat angles C4'-P-C4' energy: -71.686 flat angles P-C4'-P energy: -52.533 tors. eta vs tors. theta energy: -16.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -400.975003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.975003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.975003 (E_RNA) where: Base-Base interactions energy: -198.263 where: short stacking energy: -130.842 Base-Backbone interact. energy: 4.125 local terms energy: -206.837315 where: bonds (distance) C4'-P energy: -59.182 bonds (distance) P-C4' energy: -55.484 flat angles C4'-P-C4' energy: -62.883 flat angles P-C4'-P energy: -35.838 tors. eta vs tors. theta energy: 6.550 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: 1, replica: 8 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1415.420785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.420785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.420785 (E_RNA) where: Base-Base interactions energy: -974.238 where: short stacking energy: -437.891 Base-Backbone interact. energy: -1.279 local terms energy: -439.903147 where: bonds (distance) C4'-P energy: -70.243 bonds (distance) P-C4' energy: -86.368 flat angles C4'-P-C4' energy: -102.029 flat angles P-C4'-P energy: -66.643 tors. eta vs tors. theta energy: -114.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1414.159207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.159207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.159207 (E_RNA) where: Base-Base interactions energy: -983.251 where: short stacking energy: -425.179 Base-Backbone interact. energy: -0.707 local terms energy: -430.201300 where: bonds (distance) C4'-P energy: -88.051 bonds (distance) P-C4' energy: -86.594 flat angles C4'-P-C4' energy: -77.189 flat angles P-C4'-P energy: -53.242 tors. eta vs tors. theta energy: -125.124 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: 1 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1316.323086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.323086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.323086 (E_RNA) where: Base-Base interactions energy: -898.370 where: short stacking energy: -406.245 Base-Backbone interact. energy: -2.140 local terms energy: -415.813964 where: bonds (distance) C4'-P energy: -75.500 bonds (distance) P-C4' energy: -91.669 flat angles C4'-P-C4' energy: -92.389 flat angles P-C4'-P energy: -45.379 tors. eta vs tors. theta energy: -110.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1324.799046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.799046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.799046 (E_RNA) where: Base-Base interactions energy: -940.332 where: short stacking energy: -394.979 Base-Backbone interact. energy: -1.662 local terms energy: -382.805449 where: bonds (distance) C4'-P energy: -68.061 bonds (distance) P-C4' energy: -76.180 flat angles C4'-P-C4' energy: -83.776 flat angles P-C4'-P energy: -55.341 tors. eta vs tors. theta energy: -99.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1184.121622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.121622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.121622 (E_RNA) where: Base-Base interactions energy: -807.923 where: short stacking energy: -356.603 Base-Backbone interact. energy: -2.178 local terms energy: -374.020724 where: bonds (distance) C4'-P energy: -79.329 bonds (distance) P-C4' energy: -66.210 flat angles C4'-P-C4' energy: -78.659 flat angles P-C4'-P energy: -53.807 tors. eta vs tors. theta energy: -96.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1183.296886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.296886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.296886 (E_RNA) where: Base-Base interactions energy: -789.337 where: short stacking energy: -349.277 Base-Backbone interact. energy: -1.545 local terms energy: -392.414829 where: bonds (distance) C4'-P energy: -71.223 bonds (distance) P-C4' energy: -76.039 flat angles C4'-P-C4' energy: -86.730 flat angles P-C4'-P energy: -54.520 tors. eta vs tors. theta energy: -103.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1070.251884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.251884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.251884 (E_RNA) where: Base-Base interactions energy: -708.631 where: short stacking energy: -321.134 Base-Backbone interact. energy: -2.009 local terms energy: -359.612170 where: bonds (distance) C4'-P energy: -66.568 bonds (distance) P-C4' energy: -73.789 flat angles C4'-P-C4' energy: -75.177 flat angles P-C4'-P energy: -62.691 tors. eta vs tors. theta energy: -81.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -839.740874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.740874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.740874 (E_RNA) where: Base-Base interactions energy: -517.601 where: short stacking energy: -232.147 Base-Backbone interact. energy: -1.410 local terms energy: -320.730243 where: bonds (distance) C4'-P energy: -77.380 bonds (distance) P-C4' energy: -75.377 flat angles C4'-P-C4' energy: -73.811 flat angles P-C4'-P energy: -49.882 tors. eta vs tors. theta energy: -44.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -691.308337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.308337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.308337 (E_RNA) where: Base-Base interactions energy: -420.407 where: short stacking energy: -170.134 Base-Backbone interact. energy: -3.178 local terms energy: -267.723553 where: bonds (distance) C4'-P energy: -68.773 bonds (distance) P-C4' energy: -62.009 flat angles C4'-P-C4' energy: -67.376 flat angles P-C4'-P energy: -44.601 tors. eta vs tors. theta energy: -24.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -356.063212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.063212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.063212 (E_RNA) where: Base-Base interactions energy: -139.915 where: short stacking energy: -101.568 Base-Backbone interact. energy: -0.451 local terms energy: -215.697993 where: bonds (distance) C4'-P energy: -73.724 bonds (distance) P-C4' energy: -77.053 flat angles C4'-P-C4' energy: -50.474 flat angles P-C4'-P energy: -32.784 tors. eta vs tors. theta energy: 18.337 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: 8 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1431.616626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.616626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.616626 (E_RNA) where: Base-Base interactions energy: -997.949 where: short stacking energy: -430.339 Base-Backbone interact. energy: -2.450 local terms energy: -431.217617 where: bonds (distance) C4'-P energy: -82.120 bonds (distance) P-C4' energy: -84.999 flat angles C4'-P-C4' energy: -88.559 flat angles P-C4'-P energy: -68.942 tors. eta vs tors. theta energy: -106.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1435.851947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.851947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.851947 (E_RNA) where: Base-Base interactions energy: -1000.554 where: short stacking energy: -426.727 Base-Backbone interact. energy: -1.302 local terms energy: -433.995341 where: bonds (distance) C4'-P energy: -80.318 bonds (distance) P-C4' energy: -83.488 flat angles C4'-P-C4' energy: -93.128 flat angles P-C4'-P energy: -59.142 tors. eta vs tors. theta energy: -117.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1303.803548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.803548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.803548 (E_RNA) where: Base-Base interactions energy: -901.856 where: short stacking energy: -371.079 Base-Backbone interact. energy: -2.990 local terms energy: -398.957269 where: bonds (distance) C4'-P energy: -84.761 bonds (distance) P-C4' energy: -80.491 flat angles C4'-P-C4' energy: -91.246 flat angles P-C4'-P energy: -53.986 tors. eta vs tors. theta energy: -88.473 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: 4, replica: 6 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1307.211537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.211537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.211537 (E_RNA) where: Base-Base interactions energy: -894.890 where: short stacking energy: -363.027 Base-Backbone interact. energy: -0.279 local terms energy: -412.042692 where: bonds (distance) C4'-P energy: -84.893 bonds (distance) P-C4' energy: -90.754 flat angles C4'-P-C4' energy: -87.258 flat angles P-C4'-P energy: -60.755 tors. eta vs tors. theta energy: -88.382 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: 83 Temperature: 1.100000 Total energy: -1167.460866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.460866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.460866 (E_RNA) where: Base-Base interactions energy: -792.792 where: short stacking energy: -344.593 Base-Backbone interact. energy: -0.031 local terms energy: -374.637290 where: bonds (distance) C4'-P energy: -84.453 bonds (distance) P-C4' energy: -78.065 flat angles C4'-P-C4' energy: -75.654 flat angles P-C4'-P energy: -41.890 tors. eta vs tors. theta energy: -94.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1131.916391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.916391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.916391 (E_RNA) where: Base-Base interactions energy: -745.378 where: short stacking energy: -334.011 Base-Backbone interact. energy: -0.038 local terms energy: -386.500657 where: bonds (distance) C4'-P energy: -75.461 bonds (distance) P-C4' energy: -87.584 flat angles C4'-P-C4' energy: -81.209 flat angles P-C4'-P energy: -53.800 tors. eta vs tors. theta energy: -88.446 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: 9 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1078.741955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.741955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.741955 (E_RNA) where: Base-Base interactions energy: -720.798 where: short stacking energy: -325.547 Base-Backbone interact. energy: -1.770 local terms energy: -356.174351 where: bonds (distance) C4'-P energy: -78.175 bonds (distance) P-C4' energy: -63.134 flat angles C4'-P-C4' energy: -82.495 flat angles P-C4'-P energy: -47.503 tors. eta vs tors. theta energy: -84.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -948.481041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.481041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.481041 (E_RNA) where: Base-Base interactions energy: -629.257 where: short stacking energy: -281.694 Base-Backbone interact. energy: 2.458 local terms energy: -321.681499 where: bonds (distance) C4'-P energy: -59.660 bonds (distance) P-C4' energy: -79.243 flat angles C4'-P-C4' energy: -60.474 flat angles P-C4'-P energy: -54.234 tors. eta vs tors. theta energy: -68.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -750.088102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.088102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.088102 (E_RNA) where: Base-Base interactions energy: -463.131 where: short stacking energy: -252.292 Base-Backbone interact. energy: -1.967 local terms energy: -284.990196 where: bonds (distance) C4'-P energy: -50.701 bonds (distance) P-C4' energy: -79.897 flat angles C4'-P-C4' energy: -64.669 flat angles P-C4'-P energy: -50.843 tors. eta vs tors. theta energy: -38.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -351.998545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.998545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.998545 (E_RNA) where: Base-Base interactions energy: -137.132 where: short stacking energy: -114.487 Base-Backbone interact. energy: -1.606 local terms energy: -213.260681 where: bonds (distance) C4'-P energy: -63.539 bonds (distance) P-C4' energy: -72.273 flat angles C4'-P-C4' energy: -58.436 flat angles P-C4'-P energy: -36.176 tors. eta vs tors. theta energy: 17.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1414.621435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.621435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.621435 (E_RNA) where: Base-Base interactions energy: -983.981 where: short stacking energy: -418.130 Base-Backbone interact. energy: 0.607 local terms energy: -431.247508 where: bonds (distance) C4'-P energy: -94.340 bonds (distance) P-C4' energy: -88.196 flat angles C4'-P-C4' energy: -84.658 flat angles P-C4'-P energy: -59.483 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: 10 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1418.591200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.591200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.591200 (E_RNA) where: Base-Base interactions energy: -983.555 where: short stacking energy: -418.756 Base-Backbone interact. energy: -0.219 local terms energy: -434.817384 where: bonds (distance) C4'-P energy: -76.391 bonds (distance) P-C4' energy: -78.799 flat angles C4'-P-C4' energy: -96.504 flat angles P-C4'-P energy: -57.668 tors. eta vs tors. theta energy: -125.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1321.688538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.688538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.688538 (E_RNA) where: Base-Base interactions energy: -914.676 where: short stacking energy: -393.022 Base-Backbone interact. energy: -2.657 local terms energy: -404.354787 where: bonds (distance) C4'-P energy: -78.939 bonds (distance) P-C4' energy: -81.334 flat angles C4'-P-C4' energy: -86.185 flat angles P-C4'-P energy: -57.072 tors. eta vs tors. theta energy: -100.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1303.857209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.857209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.857209 (E_RNA) where: Base-Base interactions energy: -904.225 where: short stacking energy: -365.326 Base-Backbone interact. energy: -3.169 local terms energy: -396.462979 where: bonds (distance) C4'-P energy: -68.713 bonds (distance) P-C4' energy: -75.012 flat angles C4'-P-C4' energy: -100.298 flat angles P-C4'-P energy: -59.718 tors. eta vs tors. theta energy: -92.721 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: 7 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1179.962705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.962705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.962705 (E_RNA) where: Base-Base interactions energy: -805.543 where: short stacking energy: -343.828 Base-Backbone interact. energy: 0.166 local terms energy: -374.586170 where: bonds (distance) C4'-P energy: -77.214 bonds (distance) P-C4' energy: -65.581 flat angles C4'-P-C4' energy: -77.723 flat angles P-C4'-P energy: -61.339 tors. eta vs tors. theta energy: -92.729 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: 5 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1122.566474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.566474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.566474 (E_RNA) where: Base-Base interactions energy: -741.401 where: short stacking energy: -326.772 Base-Backbone interact. energy: -3.118 local terms energy: -378.047222 where: bonds (distance) C4'-P energy: -81.821 bonds (distance) P-C4' energy: -69.995 flat angles C4'-P-C4' energy: -89.350 flat angles P-C4'-P energy: -49.248 tors. eta vs tors. theta energy: -87.632 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: 7, replica: 2 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1008.284230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.284230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.284230 (E_RNA) where: Base-Base interactions energy: -683.984 where: short stacking energy: -281.279 Base-Backbone interact. energy: -0.844 local terms energy: -323.456117 where: bonds (distance) C4'-P energy: -71.242 bonds (distance) P-C4' energy: -69.492 flat angles C4'-P-C4' energy: -71.017 flat angles P-C4'-P energy: -51.621 tors. eta vs tors. theta energy: -60.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -995.510581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.510581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.510581 (E_RNA) where: Base-Base interactions energy: -662.473 where: short stacking energy: -279.805 Base-Backbone interact. energy: -2.424 local terms energy: -330.612933 where: bonds (distance) C4'-P energy: -75.306 bonds (distance) P-C4' energy: -85.957 flat angles C4'-P-C4' energy: -69.658 flat angles P-C4'-P energy: -38.460 tors. eta vs tors. theta energy: -61.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -707.911393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.911393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.911393 (E_RNA) where: Base-Base interactions energy: -429.404 where: short stacking energy: -201.478 Base-Backbone interact. energy: 0.668 local terms energy: -279.175308 where: bonds (distance) C4'-P energy: -61.640 bonds (distance) P-C4' energy: -77.729 flat angles C4'-P-C4' energy: -63.415 flat angles P-C4'-P energy: -48.393 tors. eta vs tors. theta energy: -27.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -337.229901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.229901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.229901 (E_RNA) where: Base-Base interactions energy: -120.476 where: short stacking energy: -100.749 Base-Backbone interact. energy: 0.673 local terms energy: -217.427166 where: bonds (distance) C4'-P energy: -62.560 bonds (distance) P-C4' energy: -70.150 flat angles C4'-P-C4' energy: -67.556 flat angles P-C4'-P energy: -31.854 tors. eta vs tors. theta energy: 14.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1413.727518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.727518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.727518 (E_RNA) where: Base-Base interactions energy: -971.541 where: short stacking energy: -420.369 Base-Backbone interact. energy: -4.024 local terms energy: -438.162905 where: bonds (distance) C4'-P energy: -89.396 bonds (distance) P-C4' energy: -81.133 flat angles C4'-P-C4' energy: -91.169 flat angles P-C4'-P energy: -63.245 tors. eta vs tors. theta energy: -113.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1449.258321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.258321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.258321 (E_RNA) where: Base-Base interactions energy: -1007.679 where: short stacking energy: -430.561 Base-Backbone interact. energy: -0.928 local terms energy: -440.651142 where: bonds (distance) C4'-P energy: -73.017 bonds (distance) P-C4' energy: -92.562 flat angles C4'-P-C4' energy: -97.355 flat angles P-C4'-P energy: -63.028 tors. eta vs tors. theta energy: -114.689 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: 85 Temperature: 1.000000 Total energy: -1308.240541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.240541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.240541 (E_RNA) where: Base-Base interactions energy: -909.146 where: short stacking energy: -381.976 Base-Backbone interact. energy: -0.880 local terms energy: -398.214351 where: bonds (distance) C4'-P energy: -66.463 bonds (distance) P-C4' energy: -88.694 flat angles C4'-P-C4' energy: -87.863 flat angles P-C4'-P energy: -55.102 tors. eta vs tors. theta energy: -100.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1272.632229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.632229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.632229 (E_RNA) where: Base-Base interactions energy: -883.085 where: short stacking energy: -366.027 Base-Backbone interact. energy: -1.378 local terms energy: -388.169932 where: bonds (distance) C4'-P energy: -71.549 bonds (distance) P-C4' energy: -81.534 flat angles C4'-P-C4' energy: -84.913 flat angles P-C4'-P energy: -56.076 tors. eta vs tors. theta energy: -94.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1171.193682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.193682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.193682 (E_RNA) where: Base-Base interactions energy: -781.297 where: short stacking energy: -354.458 Base-Backbone interact. energy: -3.459 local terms energy: -386.438334 where: bonds (distance) C4'-P energy: -75.577 bonds (distance) P-C4' energy: -78.633 flat angles C4'-P-C4' energy: -91.323 flat angles P-C4'-P energy: -46.208 tors. eta vs tors. theta energy: -94.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1133.388760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.388760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.388760 (E_RNA) where: Base-Base interactions energy: -767.245 where: short stacking energy: -355.226 Base-Backbone interact. energy: -2.006 local terms energy: -364.137209 where: bonds (distance) C4'-P energy: -69.833 bonds (distance) P-C4' energy: -89.255 flat angles C4'-P-C4' energy: -66.602 flat angles P-C4'-P energy: -55.058 tors. eta vs tors. theta energy: -83.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1047.514990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.514990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.514990 (E_RNA) where: Base-Base interactions energy: -702.970 where: short stacking energy: -289.267 Base-Backbone interact. energy: -1.154 local terms energy: -343.391452 where: bonds (distance) C4'-P energy: -62.669 bonds (distance) P-C4' energy: -74.208 flat angles C4'-P-C4' energy: -83.513 flat angles P-C4'-P energy: -49.087 tors. eta vs tors. theta energy: -73.914 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: 9 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -918.028721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.028721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.028721 (E_RNA) where: Base-Base interactions energy: -608.756 where: short stacking energy: -264.155 Base-Backbone interact. energy: 3.000 local terms energy: -312.272859 where: bonds (distance) C4'-P energy: -68.672 bonds (distance) P-C4' energy: -80.331 flat angles C4'-P-C4' energy: -67.239 flat angles P-C4'-P energy: -50.774 tors. eta vs tors. theta energy: -45.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -703.531769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.531769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.531769 (E_RNA) where: Base-Base interactions energy: -433.829 where: short stacking energy: -219.094 Base-Backbone interact. energy: -0.952 local terms energy: -268.750187 where: bonds (distance) C4'-P energy: -66.486 bonds (distance) P-C4' energy: -60.658 flat angles C4'-P-C4' energy: -71.183 flat angles P-C4'-P energy: -47.013 tors. eta vs tors. theta energy: -23.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -362.610741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.610741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.610741 (E_RNA) where: Base-Base interactions energy: -111.200 where: short stacking energy: -105.864 Base-Backbone interact. energy: 0.140 local terms energy: -251.550930 where: bonds (distance) C4'-P energy: -77.044 bonds (distance) P-C4' energy: -88.870 flat angles C4'-P-C4' energy: -50.023 flat angles P-C4'-P energy: -42.461 tors. eta vs tors. theta energy: 6.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1475.831132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.831132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.831132 (E_RNA) where: Base-Base interactions energy: -1027.837 where: short stacking energy: -434.881 Base-Backbone interact. energy: -0.664 local terms energy: -447.329948 where: bonds (distance) C4'-P energy: -86.888 bonds (distance) P-C4' energy: -87.319 flat angles C4'-P-C4' energy: -93.022 flat angles P-C4'-P energy: -57.219 tors. eta vs tors. theta energy: -122.882 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: 8 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1387.565884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.565884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.565884 (E_RNA) where: Base-Base interactions energy: -975.353 where: short stacking energy: -406.916 Base-Backbone interact. energy: -3.201 local terms energy: -409.012009 where: bonds (distance) C4'-P energy: -78.954 bonds (distance) P-C4' energy: -77.839 flat angles C4'-P-C4' energy: -93.057 flat angles P-C4'-P energy: -52.608 tors. eta vs tors. theta energy: -106.554 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: 86 Temperature: 1.000000 Total energy: -1306.828441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.828441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.828441 (E_RNA) where: Base-Base interactions energy: -884.333 where: short stacking energy: -374.803 Base-Backbone interact. energy: -2.572 local terms energy: -419.923663 where: bonds (distance) C4'-P energy: -83.324 bonds (distance) P-C4' energy: -94.921 flat angles C4'-P-C4' energy: -91.229 flat angles P-C4'-P energy: -60.960 tors. eta vs tors. theta energy: -89.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1313.788848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.788848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.788848 (E_RNA) where: Base-Base interactions energy: -924.782 where: short stacking energy: -365.335 Base-Backbone interact. energy: -2.353 local terms energy: -386.653334 where: bonds (distance) C4'-P energy: -66.146 bonds (distance) P-C4' energy: -80.005 flat angles C4'-P-C4' energy: -82.989 flat angles P-C4'-P energy: -57.677 tors. eta vs tors. theta energy: -99.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1197.429961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.429961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.429961 (E_RNA) where: Base-Base interactions energy: -807.070 where: short stacking energy: -347.785 Base-Backbone interact. energy: -2.868 local terms energy: -387.491826 where: bonds (distance) C4'-P energy: -70.823 bonds (distance) P-C4' energy: -76.623 flat angles C4'-P-C4' energy: -79.058 flat angles P-C4'-P energy: -59.507 tors. eta vs tors. theta energy: -101.481 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: 5 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1100.287512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.287512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.287512 (E_RNA) where: Base-Base interactions energy: -739.884 where: short stacking energy: -358.775 Base-Backbone interact. energy: -3.297 local terms energy: -357.106275 where: bonds (distance) C4'-P energy: -68.472 bonds (distance) P-C4' energy: -59.381 flat angles C4'-P-C4' energy: -85.109 flat angles P-C4'-P energy: -52.687 tors. eta vs tors. theta energy: -91.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1094.290547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.290547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.290547 (E_RNA) where: Base-Base interactions energy: -747.232 where: short stacking energy: -337.269 Base-Backbone interact. energy: 0.298 local terms energy: -347.356011 where: bonds (distance) C4'-P energy: -78.213 bonds (distance) P-C4' energy: -71.191 flat angles C4'-P-C4' energy: -76.202 flat angles P-C4'-P energy: -39.279 tors. eta vs tors. theta energy: -82.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -967.315485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.315485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.315485 (E_RNA) where: Base-Base interactions energy: -639.036 where: short stacking energy: -270.093 Base-Backbone interact. energy: -0.796 local terms energy: -327.483207 where: bonds (distance) C4'-P energy: -65.232 bonds (distance) P-C4' energy: -74.523 flat angles C4'-P-C4' energy: -81.148 flat angles P-C4'-P energy: -52.882 tors. eta vs tors. theta energy: -53.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -742.268258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.268258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.268258 (E_RNA) where: Base-Base interactions energy: -489.502 where: short stacking energy: -213.796 Base-Backbone interact. energy: 0.703 local terms energy: -253.468606 where: bonds (distance) C4'-P energy: -62.230 bonds (distance) P-C4' energy: -63.850 flat angles C4'-P-C4' energy: -52.114 flat angles P-C4'-P energy: -41.722 tors. eta vs tors. theta energy: -33.553 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: 4 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -408.758025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.758025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.758025 (E_RNA) where: Base-Base interactions energy: -170.537 where: short stacking energy: -104.931 Base-Backbone interact. energy: 0.078 local terms energy: -238.298641 where: bonds (distance) C4'-P energy: -73.495 bonds (distance) P-C4' energy: -73.802 flat angles C4'-P-C4' energy: -59.331 flat angles P-C4'-P energy: -46.078 tors. eta vs tors. theta energy: 14.407 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: 10 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1463.979230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.979230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.979230 (E_RNA) where: Base-Base interactions energy: -1017.746 where: short stacking energy: -428.732 Base-Backbone interact. energy: 0.663 local terms energy: -446.896139 where: bonds (distance) C4'-P energy: -76.235 bonds (distance) P-C4' energy: -85.486 flat angles C4'-P-C4' energy: -100.186 flat angles P-C4'-P energy: -63.267 tors. eta vs tors. theta energy: -121.722 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: 8 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1369.061525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.061525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.061525 (E_RNA) where: Base-Base interactions energy: -937.337 where: short stacking energy: -408.502 Base-Backbone interact. energy: -3.475 local terms energy: -428.250134 where: bonds (distance) C4'-P energy: -72.880 bonds (distance) P-C4' energy: -80.072 flat angles C4'-P-C4' energy: -98.316 flat angles P-C4'-P energy: -66.180 tors. eta vs tors. theta energy: -110.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1313.852750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.852750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.852750 (E_RNA) where: Base-Base interactions energy: -899.431 where: short stacking energy: -384.537 Base-Backbone interact. energy: -1.400 local terms energy: -413.021272 where: bonds (distance) C4'-P energy: -75.779 bonds (distance) P-C4' energy: -80.790 flat angles C4'-P-C4' energy: -89.934 flat angles P-C4'-P energy: -64.130 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: 4, replica: 6 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1296.057728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.057728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.057728 (E_RNA) where: Base-Base interactions energy: -901.019 where: short stacking energy: -379.729 Base-Backbone interact. energy: -1.216 local terms energy: -393.822363 where: bonds (distance) C4'-P energy: -73.630 bonds (distance) P-C4' energy: -78.303 flat angles C4'-P-C4' energy: -84.870 flat angles P-C4'-P energy: -47.613 tors. eta vs tors. theta energy: -109.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1242.142339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.142339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.142339 (E_RNA) where: Base-Base interactions energy: -821.546 where: short stacking energy: -400.159 Base-Backbone interact. energy: -1.132 local terms energy: -419.464805 where: bonds (distance) C4'-P energy: -86.284 bonds (distance) P-C4' energy: -65.145 flat angles C4'-P-C4' energy: -94.504 flat angles P-C4'-P energy: -51.801 tors. eta vs tors. theta energy: -121.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1175.942047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.942047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.942047 (E_RNA) where: Base-Base interactions energy: -812.456 where: short stacking energy: -356.364 Base-Backbone interact. energy: -3.487 local terms energy: -359.998498 where: bonds (distance) C4'-P energy: -61.249 bonds (distance) P-C4' energy: -85.571 flat angles C4'-P-C4' energy: -80.703 flat angles P-C4'-P energy: -43.857 tors. eta vs tors. theta energy: -88.618 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: 2 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1028.376486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.376486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.376486 (E_RNA) where: Base-Base interactions energy: -704.943 where: short stacking energy: -312.007 Base-Backbone interact. energy: 1.080 local terms energy: -324.513256 where: bonds (distance) C4'-P energy: -65.324 bonds (distance) P-C4' energy: -74.800 flat angles C4'-P-C4' energy: -80.373 flat angles P-C4'-P energy: -42.858 tors. eta vs tors. theta energy: -61.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -952.372470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.372470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.372470 (E_RNA) where: Base-Base interactions energy: -632.887 where: short stacking energy: -274.802 Base-Backbone interact. energy: -2.609 local terms energy: -316.877038 where: bonds (distance) C4'-P energy: -60.045 bonds (distance) P-C4' energy: -76.114 flat angles C4'-P-C4' energy: -82.600 flat angles P-C4'-P energy: -58.810 tors. eta vs tors. theta energy: -39.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -777.228116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.228116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.228116 (E_RNA) where: Base-Base interactions energy: -482.429 where: short stacking energy: -230.801 Base-Backbone interact. energy: -0.084 local terms energy: -294.715071 where: bonds (distance) C4'-P energy: -77.482 bonds (distance) P-C4' energy: -58.434 flat angles C4'-P-C4' energy: -68.836 flat angles P-C4'-P energy: -51.508 tors. eta vs tors. theta energy: -38.455 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: 4 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -415.390865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.390865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.390865 (E_RNA) where: Base-Base interactions energy: -170.795 where: short stacking energy: -106.678 Base-Backbone interact. energy: -1.076 local terms energy: -243.520222 where: bonds (distance) C4'-P energy: -70.347 bonds (distance) P-C4' energy: -68.192 flat angles C4'-P-C4' energy: -51.230 flat angles P-C4'-P energy: -49.450 tors. eta vs tors. theta energy: -4.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1463.087824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.087824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.087824 (E_RNA) where: Base-Base interactions energy: -1003.674 where: short stacking energy: -442.070 Base-Backbone interact. energy: -1.944 local terms energy: -457.469028 where: bonds (distance) C4'-P energy: -76.032 bonds (distance) P-C4' energy: -89.438 flat angles C4'-P-C4' energy: -96.243 flat angles P-C4'-P energy: -62.906 tors. eta vs tors. theta energy: -132.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1370.814417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.814417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.814417 (E_RNA) where: Base-Base interactions energy: -947.163 where: short stacking energy: -415.282 Base-Backbone interact. energy: -2.429 local terms energy: -421.222071 where: bonds (distance) C4'-P energy: -81.583 bonds (distance) P-C4' energy: -71.043 flat angles C4'-P-C4' energy: -90.211 flat angles P-C4'-P energy: -68.359 tors. eta vs tors. theta energy: -110.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1348.538038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.538038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.538038 (E_RNA) where: Base-Base interactions energy: -955.595 where: short stacking energy: -403.891 Base-Backbone interact. energy: -3.153 local terms energy: -389.790066 where: bonds (distance) C4'-P energy: -67.003 bonds (distance) P-C4' energy: -87.551 flat angles C4'-P-C4' energy: -84.820 flat angles P-C4'-P energy: -40.998 tors. eta vs tors. theta energy: -109.419 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: 1 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1288.082490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.082490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.082490 (E_RNA) where: Base-Base interactions energy: -884.743 where: short stacking energy: -387.360 Base-Backbone interact. energy: -1.273 local terms energy: -402.065810 where: bonds (distance) C4'-P energy: -76.984 bonds (distance) P-C4' energy: -75.941 flat angles C4'-P-C4' energy: -96.278 flat angles P-C4'-P energy: -51.389 tors. eta vs tors. theta energy: -101.475 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: 88 Temperature: 1.100000 Total energy: -1245.271256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.271256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.271256 (E_RNA) where: Base-Base interactions energy: -818.619 where: short stacking energy: -388.637 Base-Backbone interact. energy: -0.923 local terms energy: -425.728509 where: bonds (distance) C4'-P energy: -82.025 bonds (distance) P-C4' energy: -77.157 flat angles C4'-P-C4' energy: -90.352 flat angles P-C4'-P energy: -60.640 tors. eta vs tors. theta energy: -115.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1172.803788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.803788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.803788 (E_RNA) where: Base-Base interactions energy: -780.925 where: short stacking energy: -338.720 Base-Backbone interact. energy: -1.185 local terms energy: -390.693927 where: bonds (distance) C4'-P energy: -80.194 bonds (distance) P-C4' energy: -72.661 flat angles C4'-P-C4' energy: -81.465 flat angles P-C4'-P energy: -59.214 tors. eta vs tors. theta energy: -97.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -998.623672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.623672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.623672 (E_RNA) where: Base-Base interactions energy: -670.516 where: short stacking energy: -291.876 Base-Backbone interact. energy: 4.735 local terms energy: -332.842567 where: bonds (distance) C4'-P energy: -66.789 bonds (distance) P-C4' energy: -74.053 flat angles C4'-P-C4' energy: -80.712 flat angles P-C4'-P energy: -46.748 tors. eta vs tors. theta energy: -64.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -977.350799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.350799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.350799 (E_RNA) where: Base-Base interactions energy: -681.571 where: short stacking energy: -288.154 Base-Backbone interact. energy: -1.377 local terms energy: -294.402506 where: bonds (distance) C4'-P energy: -62.079 bonds (distance) P-C4' energy: -61.359 flat angles C4'-P-C4' energy: -70.537 flat angles P-C4'-P energy: -51.253 tors. eta vs tors. theta energy: -49.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -795.069907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.069907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.069907 (E_RNA) where: Base-Base interactions energy: -521.469 where: short stacking energy: -241.503 Base-Backbone interact. energy: -0.477 local terms energy: -273.124067 where: bonds (distance) C4'-P energy: -58.039 bonds (distance) P-C4' energy: -62.829 flat angles C4'-P-C4' energy: -75.080 flat angles P-C4'-P energy: -49.464 tors. eta vs tors. theta energy: -27.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -410.303412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.303412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.303412 (E_RNA) where: Base-Base interactions energy: -182.239 where: short stacking energy: -133.916 Base-Backbone interact. energy: -0.624 local terms energy: -227.440988 where: bonds (distance) C4'-P energy: -68.900 bonds (distance) P-C4' energy: -66.937 flat angles C4'-P-C4' energy: -58.376 flat angles P-C4'-P energy: -34.789 tors. eta vs tors. theta energy: 1.562 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: 1, replica: 10 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1477.079641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.079641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.079641 (E_RNA) where: Base-Base interactions energy: -1024.840 where: short stacking energy: -442.272 Base-Backbone interact. energy: -1.489 local terms energy: -450.750517 where: bonds (distance) C4'-P energy: -95.074 bonds (distance) P-C4' energy: -79.410 flat angles C4'-P-C4' energy: -91.214 flat angles P-C4'-P energy: -59.124 tors. eta vs tors. theta energy: -125.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1365.863681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.863681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.863681 (E_RNA) where: Base-Base interactions energy: -952.238 where: short stacking energy: -420.258 Base-Backbone interact. energy: -1.470 local terms energy: -412.155757 where: bonds (distance) C4'-P energy: -81.927 bonds (distance) P-C4' energy: -79.900 flat angles C4'-P-C4' energy: -91.477 flat angles P-C4'-P energy: -49.369 tors. eta vs tors. theta energy: -109.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -1364.245213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.245213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.245213 (E_RNA) where: Base-Base interactions energy: -977.427 where: short stacking energy: -403.251 Base-Backbone interact. energy: -0.014 local terms energy: -386.804193 where: bonds (distance) C4'-P energy: -61.584 bonds (distance) P-C4' energy: -77.417 flat angles C4'-P-C4' energy: -89.139 flat angles P-C4'-P energy: -56.893 tors. eta vs tors. theta energy: -101.771 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: 4, replica: 1 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1294.459723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.459723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.459723 (E_RNA) where: Base-Base interactions energy: -887.636 where: short stacking energy: -381.479 Base-Backbone interact. energy: -1.848 local terms energy: -404.975936 where: bonds (distance) C4'-P energy: -63.566 bonds (distance) P-C4' energy: -83.521 flat angles C4'-P-C4' energy: -96.253 flat angles P-C4'-P energy: -65.522 tors. eta vs tors. theta energy: -96.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1207.324890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.324890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.324890 (E_RNA) where: Base-Base interactions energy: -827.400 where: short stacking energy: -356.065 Base-Backbone interact. energy: -3.116 local terms energy: -376.808568 where: bonds (distance) C4'-P energy: -68.967 bonds (distance) P-C4' energy: -74.543 flat angles C4'-P-C4' energy: -77.736 flat angles P-C4'-P energy: -55.582 tors. eta vs tors. theta energy: -99.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1183.729638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.729638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.729638 (E_RNA) where: Base-Base interactions energy: -834.745 where: short stacking energy: -377.393 Base-Backbone interact. energy: -1.333 local terms energy: -347.651686 where: bonds (distance) C4'-P energy: -55.282 bonds (distance) P-C4' energy: -66.652 flat angles C4'-P-C4' energy: -75.048 flat angles P-C4'-P energy: -53.461 tors. eta vs tors. theta energy: -97.209 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: 9 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -997.712310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.712310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.712310 (E_RNA) where: Base-Base interactions energy: -628.282 where: short stacking energy: -287.500 Base-Backbone interact. energy: -2.328 local terms energy: -367.101454 where: bonds (distance) C4'-P energy: -77.887 bonds (distance) P-C4' energy: -78.931 flat angles C4'-P-C4' energy: -83.825 flat angles P-C4'-P energy: -67.915 tors. eta vs tors. theta energy: -58.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1014.835138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.835138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.835138 (E_RNA) where: Base-Base interactions energy: -686.902 where: short stacking energy: -281.508 Base-Backbone interact. energy: 0.265 local terms energy: -328.198680 where: bonds (distance) C4'-P energy: -69.872 bonds (distance) P-C4' energy: -68.917 flat angles C4'-P-C4' energy: -74.985 flat angles P-C4'-P energy: -46.994 tors. eta vs tors. theta energy: -67.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -796.033977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.033977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.033977 (E_RNA) where: Base-Base interactions energy: -519.311 where: short stacking energy: -216.645 Base-Backbone interact. energy: -1.942 local terms energy: -274.781843 where: bonds (distance) C4'-P energy: -69.310 bonds (distance) P-C4' energy: -77.042 flat angles C4'-P-C4' energy: -62.419 flat angles P-C4'-P energy: -30.611 tors. eta vs tors. theta energy: -35.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -409.346487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.346487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.346487 (E_RNA) where: Base-Base interactions energy: -171.270 where: short stacking energy: -131.671 Base-Backbone interact. energy: 3.520 local terms energy: -241.596732 where: bonds (distance) C4'-P energy: -70.058 bonds (distance) P-C4' energy: -75.743 flat angles C4'-P-C4' energy: -60.725 flat angles P-C4'-P energy: -33.877 tors. eta vs tors. theta energy: -1.194 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: 90 Temperature: 0.900000 Total energy: -1488.468631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.468631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.468631 (E_RNA) where: Base-Base interactions energy: -1016.416 where: short stacking energy: -433.634 Base-Backbone interact. energy: -1.187 local terms energy: -470.865181 where: bonds (distance) C4'-P energy: -94.180 bonds (distance) P-C4' energy: -87.625 flat angles C4'-P-C4' energy: -94.357 flat angles P-C4'-P energy: -61.951 tors. eta vs tors. theta energy: -132.751 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: 8 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1368.385724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.385724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.385724 (E_RNA) where: Base-Base interactions energy: -931.107 where: short stacking energy: -393.683 Base-Backbone interact. energy: -1.931 local terms energy: -435.347400 where: bonds (distance) C4'-P energy: -84.020 bonds (distance) P-C4' energy: -82.579 flat angles C4'-P-C4' energy: -94.994 flat angles P-C4'-P energy: -65.495 tors. eta vs tors. theta energy: -108.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1367.119721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.119721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.119721 (E_RNA) where: Base-Base interactions energy: -950.726 where: short stacking energy: -390.154 Base-Backbone interact. energy: -1.233 local terms energy: -415.161173 where: bonds (distance) C4'-P energy: -80.313 bonds (distance) P-C4' energy: -84.333 flat angles C4'-P-C4' energy: -88.727 flat angles P-C4'-P energy: -55.438 tors. eta vs tors. theta energy: -106.349 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: 1 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1292.730533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.730533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.730533 (E_RNA) where: Base-Base interactions energy: -891.307 where: short stacking energy: -368.082 Base-Backbone interact. energy: 0.093 local terms energy: -401.517209 where: bonds (distance) C4'-P energy: -81.032 bonds (distance) P-C4' energy: -74.789 flat angles C4'-P-C4' energy: -89.989 flat angles P-C4'-P energy: -64.156 tors. eta vs tors. theta energy: -91.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1217.143267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.143267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.143267 (E_RNA) where: Base-Base interactions energy: -822.881 where: short stacking energy: -374.916 Base-Backbone interact. energy: -0.056 local terms energy: -394.206139 where: bonds (distance) C4'-P energy: -69.664 bonds (distance) P-C4' energy: -77.239 flat angles C4'-P-C4' energy: -85.127 flat angles P-C4'-P energy: -59.925 tors. eta vs tors. theta energy: -102.252 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: 7 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1163.735726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.735726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.735726 (E_RNA) where: Base-Base interactions energy: -808.219 where: short stacking energy: -338.312 Base-Backbone interact. energy: -3.317 local terms energy: -352.199649 where: bonds (distance) C4'-P energy: -56.192 bonds (distance) P-C4' energy: -66.396 flat angles C4'-P-C4' energy: -78.009 flat angles P-C4'-P energy: -52.206 tors. eta vs tors. theta energy: -99.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1079.567775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.567775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.567775 (E_RNA) where: Base-Base interactions energy: -746.831 where: short stacking energy: -320.661 Base-Backbone interact. energy: 9.308 local terms energy: -342.045622 where: bonds (distance) C4'-P energy: -68.480 bonds (distance) P-C4' energy: -68.404 flat angles C4'-P-C4' energy: -80.786 flat angles P-C4'-P energy: -47.591 tors. eta vs tors. theta energy: -76.785 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: 8, replica: 9 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -963.706547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.706547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.706547 (E_RNA) where: Base-Base interactions energy: -622.991 where: short stacking energy: -301.539 Base-Backbone interact. energy: -1.355 local terms energy: -339.359800 where: bonds (distance) C4'-P energy: -54.748 bonds (distance) P-C4' energy: -77.149 flat angles C4'-P-C4' energy: -87.060 flat angles P-C4'-P energy: -47.583 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: 9, replica: 3 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -872.046855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.046855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.046855 (E_RNA) where: Base-Base interactions energy: -568.963 where: short stacking energy: -243.088 Base-Backbone interact. energy: -0.857 local terms energy: -302.227280 where: bonds (distance) C4'-P energy: -78.033 bonds (distance) P-C4' energy: -68.105 flat angles C4'-P-C4' energy: -77.810 flat angles P-C4'-P energy: -32.339 tors. eta vs tors. theta energy: -45.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -364.643350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.643350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.643350 (E_RNA) where: Base-Base interactions energy: -141.235 where: short stacking energy: -119.976 Base-Backbone interact. energy: 2.255 local terms energy: -225.663766 where: bonds (distance) C4'-P energy: -67.764 bonds (distance) P-C4' energy: -71.589 flat angles C4'-P-C4' energy: -53.046 flat angles P-C4'-P energy: -31.713 tors. eta vs tors. theta energy: -1.553 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: 10 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1476.294813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.294813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.294813 (E_RNA) where: Base-Base interactions energy: -1039.300 where: short stacking energy: -434.628 Base-Backbone interact. energy: -2.041 local terms energy: -434.954471 where: bonds (distance) C4'-P energy: -70.857 bonds (distance) P-C4' energy: -82.236 flat angles C4'-P-C4' energy: -91.291 flat angles P-C4'-P energy: -61.901 tors. eta vs tors. theta energy: -128.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1430.123833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.123833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.123833 (E_RNA) where: Base-Base interactions energy: -995.751 where: short stacking energy: -435.173 Base-Backbone interact. energy: 0.499 local terms energy: -434.871711 where: bonds (distance) C4'-P energy: -74.875 bonds (distance) P-C4' energy: -83.736 flat angles C4'-P-C4' energy: -97.556 flat angles P-C4'-P energy: -61.683 tors. eta vs tors. theta energy: -117.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1370.090586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.090586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.090586 (E_RNA) where: Base-Base interactions energy: -939.131 where: short stacking energy: -414.030 Base-Backbone interact. energy: -2.147 local terms energy: -428.813183 where: bonds (distance) C4'-P energy: -79.412 bonds (distance) P-C4' energy: -83.494 flat angles C4'-P-C4' energy: -94.349 flat angles P-C4'-P energy: -58.780 tors. eta vs tors. theta energy: -112.779 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: 1 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1302.816873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.816873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.816873 (E_RNA) where: Base-Base interactions energy: -893.514 where: short stacking energy: -409.695 Base-Backbone interact. energy: -2.678 local terms energy: -406.624814 where: bonds (distance) C4'-P energy: -76.922 bonds (distance) P-C4' energy: -80.845 flat angles C4'-P-C4' energy: -86.003 flat angles P-C4'-P energy: -63.138 tors. eta vs tors. theta energy: -99.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1212.301222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.301222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.301222 (E_RNA) where: Base-Base interactions energy: -820.239 where: short stacking energy: -355.819 Base-Backbone interact. energy: -1.767 local terms energy: -390.295495 where: bonds (distance) C4'-P energy: -84.533 bonds (distance) P-C4' energy: -77.975 flat angles C4'-P-C4' energy: -79.241 flat angles P-C4'-P energy: -54.507 tors. eta vs tors. theta energy: -94.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1166.474038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.474038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.474038 (E_RNA) where: Base-Base interactions energy: -761.937 where: short stacking energy: -344.549 Base-Backbone interact. energy: 1.393 local terms energy: -405.929639 where: bonds (distance) C4'-P energy: -79.756 bonds (distance) P-C4' energy: -82.840 flat angles C4'-P-C4' energy: -84.465 flat angles P-C4'-P energy: -65.847 tors. eta vs tors. theta energy: -93.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1115.791198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.791198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.791198 (E_RNA) where: Base-Base interactions energy: -764.781 where: short stacking energy: -319.001 Base-Backbone interact. energy: 5.043 local terms energy: -356.053356 where: bonds (distance) C4'-P energy: -66.780 bonds (distance) P-C4' energy: -67.549 flat angles C4'-P-C4' energy: -82.743 flat angles P-C4'-P energy: -63.422 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: 8, replica: 9 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -926.206778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.206778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.206778 (E_RNA) where: Base-Base interactions energy: -617.236 where: short stacking energy: -293.385 Base-Backbone interact. energy: -0.446 local terms energy: -308.525368 where: bonds (distance) C4'-P energy: -66.933 bonds (distance) P-C4' energy: -79.416 flat angles C4'-P-C4' energy: -68.079 flat angles P-C4'-P energy: -38.098 tors. eta vs tors. theta energy: -56.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -920.497407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.497407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.497407 (E_RNA) where: Base-Base interactions energy: -624.476 where: short stacking energy: -266.316 Base-Backbone interact. energy: 0.967 local terms energy: -296.988284 where: bonds (distance) C4'-P energy: -64.688 bonds (distance) P-C4' energy: -78.798 flat angles C4'-P-C4' energy: -71.363 flat angles P-C4'-P energy: -45.561 tors. eta vs tors. theta energy: -36.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -425.818987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.818987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.818987 (E_RNA) where: Base-Base interactions energy: -172.637 where: short stacking energy: -128.425 Base-Backbone interact. energy: 0.608 local terms energy: -253.790724 where: bonds (distance) C4'-P energy: -75.976 bonds (distance) P-C4' energy: -75.116 flat angles C4'-P-C4' energy: -53.151 flat angles P-C4'-P energy: -44.385 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: 1, replica: 10 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1466.505759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.505759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.505759 (E_RNA) where: Base-Base interactions energy: -1018.887 where: short stacking energy: -431.666 Base-Backbone interact. energy: -0.793 local terms energy: -446.825759 where: bonds (distance) C4'-P energy: -87.031 bonds (distance) P-C4' energy: -83.949 flat angles C4'-P-C4' energy: -89.475 flat angles P-C4'-P energy: -67.529 tors. eta vs tors. theta energy: -118.842 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: 6 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1411.973358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.973358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.973358 (E_RNA) where: Base-Base interactions energy: -972.975 where: short stacking energy: -434.126 Base-Backbone interact. energy: -2.556 local terms energy: -436.441920 where: bonds (distance) C4'-P energy: -84.285 bonds (distance) P-C4' energy: -88.953 flat angles C4'-P-C4' energy: -88.762 flat angles P-C4'-P energy: -58.664 tors. eta vs tors. theta energy: -115.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1326.473037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.473037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.473037 (E_RNA) where: Base-Base interactions energy: -889.931 where: short stacking energy: -392.969 Base-Backbone interact. energy: -3.988 local terms energy: -432.554239 where: bonds (distance) C4'-P energy: -83.892 bonds (distance) P-C4' energy: -77.028 flat angles C4'-P-C4' energy: -96.407 flat angles P-C4'-P energy: -62.268 tors. eta vs tors. theta energy: -112.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1320.568233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.568233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.568233 (E_RNA) where: Base-Base interactions energy: -904.570 where: short stacking energy: -398.269 Base-Backbone interact. energy: -2.347 local terms energy: -413.651472 where: bonds (distance) C4'-P energy: -62.929 bonds (distance) P-C4' energy: -83.649 flat angles C4'-P-C4' energy: -90.961 flat angles P-C4'-P energy: -63.902 tors. eta vs tors. theta energy: -112.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1158.435040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.435040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.435040 (E_RNA) where: Base-Base interactions energy: -789.876 where: short stacking energy: -339.062 Base-Backbone interact. energy: -1.342 local terms energy: -367.217684 where: bonds (distance) C4'-P energy: -79.553 bonds (distance) P-C4' energy: -82.497 flat angles C4'-P-C4' energy: -74.039 flat angles P-C4'-P energy: -49.482 tors. eta vs tors. theta energy: -81.647 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: 5 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1156.153613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.153613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.153613 (E_RNA) where: Base-Base interactions energy: -801.558 where: short stacking energy: -338.459 Base-Backbone interact. energy: -2.783 local terms energy: -351.813196 where: bonds (distance) C4'-P energy: -58.244 bonds (distance) P-C4' energy: -65.737 flat angles C4'-P-C4' energy: -86.858 flat angles P-C4'-P energy: -56.875 tors. eta vs tors. theta energy: -84.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1135.970116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.970116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.970116 (E_RNA) where: Base-Base interactions energy: -771.958 where: short stacking energy: -336.412 Base-Backbone interact. energy: -1.539 local terms energy: -362.472707 where: bonds (distance) C4'-P energy: -83.517 bonds (distance) P-C4' energy: -70.787 flat angles C4'-P-C4' energy: -80.768 flat angles P-C4'-P energy: -45.317 tors. eta vs tors. theta energy: -82.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -908.163245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.163245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.163245 (E_RNA) where: Base-Base interactions energy: -615.711 where: short stacking energy: -266.394 Base-Backbone interact. energy: -0.327 local terms energy: -292.125780 where: bonds (distance) C4'-P energy: -47.743 bonds (distance) P-C4' energy: -71.722 flat angles C4'-P-C4' energy: -66.969 flat angles P-C4'-P energy: -52.380 tors. eta vs tors. theta energy: -53.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -890.324231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.324231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.324231 (E_RNA) where: Base-Base interactions energy: -585.572 where: short stacking energy: -247.008 Base-Backbone interact. energy: -0.298 local terms energy: -304.454168 where: bonds (distance) C4'-P energy: -71.202 bonds (distance) P-C4' energy: -72.300 flat angles C4'-P-C4' energy: -65.394 flat angles P-C4'-P energy: -45.800 tors. eta vs tors. theta energy: -49.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -413.969106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.969106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.969106 (E_RNA) where: Base-Base interactions energy: -200.255 where: short stacking energy: -137.143 Base-Backbone interact. energy: -0.750 local terms energy: -212.964132 where: bonds (distance) C4'-P energy: -54.646 bonds (distance) P-C4' energy: -80.420 flat angles C4'-P-C4' energy: -58.234 flat angles P-C4'-P energy: -19.750 tors. eta vs tors. theta energy: 0.085 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: 1, replica: 10 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1444.711170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.711170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.711170 (E_RNA) where: Base-Base interactions energy: -999.077 where: short stacking energy: -437.353 Base-Backbone interact. energy: -0.603 local terms energy: -445.031983 where: bonds (distance) C4'-P energy: -85.911 bonds (distance) P-C4' energy: -77.738 flat angles C4'-P-C4' energy: -90.850 flat angles P-C4'-P energy: -65.824 tors. eta vs tors. theta energy: -124.709 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: 6 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -1442.992432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.992432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.992432 (E_RNA) where: Base-Base interactions energy: -994.015 where: short stacking energy: -437.330 Base-Backbone interact. energy: -2.104 local terms energy: -446.874215 where: bonds (distance) C4'-P energy: -86.472 bonds (distance) P-C4' energy: -85.980 flat angles C4'-P-C4' energy: -92.547 flat angles P-C4'-P energy: -60.628 tors. eta vs tors. theta energy: -121.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1328.842805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.842805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.842805 (E_RNA) where: Base-Base interactions energy: -910.439 where: short stacking energy: -414.603 Base-Backbone interact. energy: -2.480 local terms energy: -415.924113 where: bonds (distance) C4'-P energy: -72.508 bonds (distance) P-C4' energy: -79.258 flat angles C4'-P-C4' energy: -90.185 flat angles P-C4'-P energy: -61.345 tors. eta vs tors. theta energy: -112.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1312.571801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.571801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.571801 (E_RNA) where: Base-Base interactions energy: -892.879 where: short stacking energy: -394.128 Base-Backbone interact. energy: -0.968 local terms energy: -418.724367 where: bonds (distance) C4'-P energy: -70.521 bonds (distance) P-C4' energy: -83.834 flat angles C4'-P-C4' energy: -82.593 flat angles P-C4'-P energy: -67.994 tors. eta vs tors. theta energy: -113.782 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: 7 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1178.924910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.924910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.924910 (E_RNA) where: Base-Base interactions energy: -823.381 where: short stacking energy: -373.932 Base-Backbone interact. energy: 1.403 local terms energy: -356.947050 where: bonds (distance) C4'-P energy: -55.077 bonds (distance) P-C4' energy: -70.038 flat angles C4'-P-C4' energy: -82.464 flat angles P-C4'-P energy: -52.951 tors. eta vs tors. theta energy: -96.418 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: 2 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1148.009672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.009672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.009672 (E_RNA) where: Base-Base interactions energy: -771.812 where: short stacking energy: -334.263 Base-Backbone interact. energy: -3.095 local terms energy: -373.102747 where: bonds (distance) C4'-P energy: -75.531 bonds (distance) P-C4' energy: -79.147 flat angles C4'-P-C4' energy: -81.214 flat angles P-C4'-P energy: -55.195 tors. eta vs tors. theta energy: -82.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1091.876043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.876043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.876043 (E_RNA) where: Base-Base interactions energy: -743.858 where: short stacking energy: -330.521 Base-Backbone interact. energy: 0.109 local terms energy: -348.126377 where: bonds (distance) C4'-P energy: -77.896 bonds (distance) P-C4' energy: -72.602 flat angles C4'-P-C4' energy: -69.255 flat angles P-C4'-P energy: -51.406 tors. eta vs tors. theta energy: -76.968 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: 93 Temperature: 1.250000 Total energy: -956.583328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.583328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.583328 (E_RNA) where: Base-Base interactions energy: -656.929 where: short stacking energy: -285.597 Base-Backbone interact. energy: 4.532 local terms energy: -304.186086 where: bonds (distance) C4'-P energy: -60.578 bonds (distance) P-C4' energy: -71.506 flat angles C4'-P-C4' energy: -71.354 flat angles P-C4'-P energy: -28.514 tors. eta vs tors. theta energy: -72.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -878.856067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.856067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.856067 (E_RNA) where: Base-Base interactions energy: -595.579 where: short stacking energy: -256.892 Base-Backbone interact. energy: 0.680 local terms energy: -283.956928 where: bonds (distance) C4'-P energy: -66.106 bonds (distance) P-C4' energy: -65.190 flat angles C4'-P-C4' energy: -75.348 flat angles P-C4'-P energy: -32.715 tors. eta vs tors. theta energy: -44.598 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: 4 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -386.899990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.899990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.899990 (E_RNA) where: Base-Base interactions energy: -172.269 where: short stacking energy: -116.530 Base-Backbone interact. energy: 2.622 local terms energy: -217.252929 where: bonds (distance) C4'-P energy: -75.255 bonds (distance) P-C4' energy: -59.183 flat angles C4'-P-C4' energy: -73.745 flat angles P-C4'-P energy: -24.830 tors. eta vs tors. theta energy: 15.761 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: 10 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1482.830798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.830798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.830798 (E_RNA) where: Base-Base interactions energy: -1030.694 where: short stacking energy: -457.206 Base-Backbone interact. energy: -2.536 local terms energy: -449.600676 where: bonds (distance) C4'-P energy: -77.146 bonds (distance) P-C4' energy: -89.369 flat angles C4'-P-C4' energy: -98.790 flat angles P-C4'-P energy: -51.372 tors. eta vs tors. theta energy: -132.924 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: 6 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1418.422431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.422431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.422431 (E_RNA) where: Base-Base interactions energy: -996.387 where: short stacking energy: -434.194 Base-Backbone interact. energy: -0.985 local terms energy: -421.051072 where: bonds (distance) C4'-P energy: -75.780 bonds (distance) P-C4' energy: -79.734 flat angles C4'-P-C4' energy: -94.109 flat angles P-C4'-P energy: -58.065 tors. eta vs tors. theta energy: -113.364 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: 1 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1326.153113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.153113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.153113 (E_RNA) where: Base-Base interactions energy: -916.017 where: short stacking energy: -415.691 Base-Backbone interact. energy: -2.638 local terms energy: -407.498277 where: bonds (distance) C4'-P energy: -79.161 bonds (distance) P-C4' energy: -74.954 flat angles C4'-P-C4' energy: -91.077 flat angles P-C4'-P energy: -63.783 tors. eta vs tors. theta energy: -98.522 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: 8 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1288.136093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.136093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.136093 (E_RNA) where: Base-Base interactions energy: -880.568 where: short stacking energy: -387.006 Base-Backbone interact. energy: -2.713 local terms energy: -404.854921 where: bonds (distance) C4'-P energy: -70.390 bonds (distance) P-C4' energy: -76.348 flat angles C4'-P-C4' energy: -94.999 flat angles P-C4'-P energy: -67.310 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: 5, replica: 7 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1215.236933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.236933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.236933 (E_RNA) where: Base-Base interactions energy: -829.168 where: short stacking energy: -361.687 Base-Backbone interact. energy: -0.839 local terms energy: -385.230017 where: bonds (distance) C4'-P energy: -79.392 bonds (distance) P-C4' energy: -69.971 flat angles C4'-P-C4' energy: -92.296 flat angles P-C4'-P energy: -61.677 tors. eta vs tors. theta energy: -81.894 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: 6, replica: 2 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1130.385528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.385528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.385528 (E_RNA) where: Base-Base interactions energy: -751.055 where: short stacking energy: -353.675 Base-Backbone interact. energy: -0.904 local terms energy: -378.425722 where: bonds (distance) C4'-P energy: -58.355 bonds (distance) P-C4' energy: -91.372 flat angles C4'-P-C4' energy: -78.344 flat angles P-C4'-P energy: -59.993 tors. eta vs tors. theta energy: -90.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1119.028754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.028754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.028754 (E_RNA) where: Base-Base interactions energy: -742.642 where: short stacking energy: -317.558 Base-Backbone interact. energy: -1.375 local terms energy: -375.011395 where: bonds (distance) C4'-P energy: -67.634 bonds (distance) P-C4' energy: -78.698 flat angles C4'-P-C4' energy: -90.670 flat angles P-C4'-P energy: -48.453 tors. eta vs tors. theta energy: -89.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -946.304529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.304529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.304529 (E_RNA) where: Base-Base interactions energy: -635.594 where: short stacking energy: -277.322 Base-Backbone interact. energy: -3.876 local terms energy: -306.835106 where: bonds (distance) C4'-P energy: -56.873 bonds (distance) P-C4' energy: -61.651 flat angles C4'-P-C4' energy: -81.674 flat angles P-C4'-P energy: -47.556 tors. eta vs tors. theta energy: -59.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -876.690131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.690131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.690131 (E_RNA) where: Base-Base interactions energy: -579.233 where: short stacking energy: -259.113 Base-Backbone interact. energy: 7.528 local terms energy: -304.984875 where: bonds (distance) C4'-P energy: -61.703 bonds (distance) P-C4' energy: -65.313 flat angles C4'-P-C4' energy: -77.506 flat angles P-C4'-P energy: -53.766 tors. eta vs tors. theta energy: -46.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -371.092885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.092885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.092885 (E_RNA) where: Base-Base interactions energy: -168.721 where: short stacking energy: -119.709 Base-Backbone interact. energy: 4.251 local terms energy: -206.622963 where: bonds (distance) C4'-P energy: -56.156 bonds (distance) P-C4' energy: -54.891 flat angles C4'-P-C4' energy: -68.491 flat angles P-C4'-P energy: -38.678 tors. eta vs tors. theta energy: 11.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1477.380433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.380433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.380433 (E_RNA) where: Base-Base interactions energy: -1021.590 where: short stacking energy: -428.200 Base-Backbone interact. energy: -0.899 local terms energy: -454.891519 where: bonds (distance) C4'-P energy: -82.044 bonds (distance) P-C4' energy: -88.921 flat angles C4'-P-C4' energy: -91.881 flat angles P-C4'-P energy: -66.225 tors. eta vs tors. theta energy: -125.821 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: 6 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1424.085980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.085980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.085980 (E_RNA) where: Base-Base interactions energy: -979.707 where: short stacking energy: -411.755 Base-Backbone interact. energy: -1.661 local terms energy: -442.718973 where: bonds (distance) C4'-P energy: -82.965 bonds (distance) P-C4' energy: -77.228 flat angles C4'-P-C4' energy: -98.321 flat angles P-C4'-P energy: -65.431 tors. eta vs tors. theta energy: -118.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1345.075458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.075458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.075458 (E_RNA) where: Base-Base interactions energy: -942.205 where: short stacking energy: -393.269 Base-Backbone interact. energy: -0.314 local terms energy: -402.556733 where: bonds (distance) C4'-P energy: -72.902 bonds (distance) P-C4' energy: -89.613 flat angles C4'-P-C4' energy: -80.573 flat angles P-C4'-P energy: -60.208 tors. eta vs tors. theta energy: -99.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -1307.391124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.391124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.391124 (E_RNA) where: Base-Base interactions energy: -886.023 where: short stacking energy: -397.466 Base-Backbone interact. energy: -0.864 local terms energy: -420.504215 where: bonds (distance) C4'-P energy: -89.734 bonds (distance) P-C4' energy: -79.156 flat angles C4'-P-C4' energy: -88.791 flat angles P-C4'-P energy: -56.116 tors. eta vs tors. theta energy: -106.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -1242.924905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.924905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.924905 (E_RNA) where: Base-Base interactions energy: -847.117 where: short stacking energy: -360.223 Base-Backbone interact. energy: -1.575 local terms energy: -394.232573 where: bonds (distance) C4'-P energy: -77.375 bonds (distance) P-C4' energy: -78.133 flat angles C4'-P-C4' energy: -87.231 flat angles P-C4'-P energy: -52.716 tors. eta vs tors. theta energy: -98.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1157.994339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.994339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.994339 (E_RNA) where: Base-Base interactions energy: -776.279 where: short stacking energy: -324.854 Base-Backbone interact. energy: -2.672 local terms energy: -379.043278 where: bonds (distance) C4'-P energy: -78.516 bonds (distance) P-C4' energy: -85.304 flat angles C4'-P-C4' energy: -77.999 flat angles P-C4'-P energy: -61.995 tors. eta vs tors. theta energy: -75.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1082.434772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.434772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.434772 (E_RNA) where: Base-Base interactions energy: -736.830 where: short stacking energy: -315.529 Base-Backbone interact. energy: 0.728 local terms energy: -346.333263 where: bonds (distance) C4'-P energy: -66.506 bonds (distance) P-C4' energy: -59.057 flat angles C4'-P-C4' energy: -85.987 flat angles P-C4'-P energy: -48.938 tors. eta vs tors. theta energy: -85.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -978.372574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.372574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.372574 (E_RNA) where: Base-Base interactions energy: -649.477 where: short stacking energy: -290.918 Base-Backbone interact. energy: -1.443 local terms energy: -327.451967 where: bonds (distance) C4'-P energy: -78.334 bonds (distance) P-C4' energy: -74.419 flat angles C4'-P-C4' energy: -62.447 flat angles P-C4'-P energy: -50.726 tors. eta vs tors. theta energy: -61.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -830.689122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.689122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.689122 (E_RNA) where: Base-Base interactions energy: -522.281 where: short stacking energy: -239.049 Base-Backbone interact. energy: -1.580 local terms energy: -306.827338 where: bonds (distance) C4'-P energy: -71.023 bonds (distance) P-C4' energy: -90.662 flat angles C4'-P-C4' energy: -77.268 flat angles P-C4'-P energy: -18.531 tors. eta vs tors. theta energy: -49.343 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: 4 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -366.719681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.719681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.719681 (E_RNA) where: Base-Base interactions energy: -144.509 where: short stacking energy: -95.827 Base-Backbone interact. energy: -0.107 local terms energy: -222.104222 where: bonds (distance) C4'-P energy: -62.401 bonds (distance) P-C4' energy: -80.310 flat angles C4'-P-C4' energy: -61.807 flat angles P-C4'-P energy: -24.159 tors. eta vs tors. theta energy: 6.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1481.992406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.992406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.992406 (E_RNA) where: Base-Base interactions energy: -1021.205 where: short stacking energy: -446.484 Base-Backbone interact. energy: 0.482 local terms energy: -461.269690 where: bonds (distance) C4'-P energy: -93.758 bonds (distance) P-C4' energy: -79.023 flat angles C4'-P-C4' energy: -93.634 flat angles P-C4'-P energy: -63.273 tors. eta vs tors. theta energy: -131.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1405.087687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.087687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.087687 (E_RNA) where: Base-Base interactions energy: -966.502 where: short stacking energy: -411.961 Base-Backbone interact. energy: -4.552 local terms energy: -434.033630 where: bonds (distance) C4'-P energy: -87.268 bonds (distance) P-C4' energy: -76.582 flat angles C4'-P-C4' energy: -98.656 flat angles P-C4'-P energy: -57.998 tors. eta vs tors. theta energy: -113.528 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: 96 Temperature: 1.000000 Total energy: -1339.134050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.134050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.134050 (E_RNA) where: Base-Base interactions energy: -924.863 where: short stacking energy: -405.464 Base-Backbone interact. energy: -2.466 local terms energy: -411.805284 where: bonds (distance) C4'-P energy: -75.435 bonds (distance) P-C4' energy: -81.730 flat angles C4'-P-C4' energy: -93.276 flat angles P-C4'-P energy: -54.385 tors. eta vs tors. theta energy: -106.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1251.388059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.388059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.388059 (E_RNA) where: Base-Base interactions energy: -856.170 where: short stacking energy: -371.586 Base-Backbone interact. energy: 2.676 local terms energy: -397.894612 where: bonds (distance) C4'-P energy: -68.050 bonds (distance) P-C4' energy: -84.238 flat angles C4'-P-C4' energy: -85.911 flat angles P-C4'-P energy: -65.614 tors. eta vs tors. theta energy: -94.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1220.102616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.102616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.102616 (E_RNA) where: Base-Base interactions energy: -813.635 where: short stacking energy: -377.032 Base-Backbone interact. energy: -0.415 local terms energy: -406.052593 where: bonds (distance) C4'-P energy: -78.893 bonds (distance) P-C4' energy: -83.812 flat angles C4'-P-C4' energy: -87.065 flat angles P-C4'-P energy: -54.668 tors. eta vs tors. theta energy: -101.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1130.364263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.364263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.364263 (E_RNA) where: Base-Base interactions energy: -769.456 where: short stacking energy: -336.885 Base-Backbone interact. energy: -2.718 local terms energy: -358.190713 where: bonds (distance) C4'-P energy: -68.263 bonds (distance) P-C4' energy: -74.548 flat angles C4'-P-C4' energy: -80.457 flat angles P-C4'-P energy: -49.260 tors. eta vs tors. theta energy: -85.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1049.551380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.551380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.551380 (E_RNA) where: Base-Base interactions energy: -676.470 where: short stacking energy: -312.370 Base-Backbone interact. energy: 1.028 local terms energy: -374.108856 where: bonds (distance) C4'-P energy: -80.086 bonds (distance) P-C4' energy: -83.710 flat angles C4'-P-C4' energy: -79.415 flat angles P-C4'-P energy: -56.402 tors. eta vs tors. theta energy: -74.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -948.971953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.971953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.971953 (E_RNA) where: Base-Base interactions energy: -635.325 where: short stacking energy: -271.672 Base-Backbone interact. energy: 5.143 local terms energy: -318.790311 where: bonds (distance) C4'-P energy: -72.986 bonds (distance) P-C4' energy: -70.381 flat angles C4'-P-C4' energy: -61.698 flat angles P-C4'-P energy: -53.359 tors. eta vs tors. theta energy: -60.366 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: 9 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -845.578258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.578258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.578258 (E_RNA) where: Base-Base interactions energy: -554.380 where: short stacking energy: -256.115 Base-Backbone interact. energy: -0.039 local terms energy: -291.159171 where: bonds (distance) C4'-P energy: -68.978 bonds (distance) P-C4' energy: -73.741 flat angles C4'-P-C4' energy: -65.806 flat angles P-C4'-P energy: -42.654 tors. eta vs tors. theta energy: -39.981 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: 4 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -355.841789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.841789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.841789 (E_RNA) where: Base-Base interactions energy: -134.852 where: short stacking energy: -118.877 Base-Backbone interact. energy: 1.324 local terms energy: -222.313713 where: bonds (distance) C4'-P energy: -71.503 bonds (distance) P-C4' energy: -62.735 flat angles C4'-P-C4' energy: -72.028 flat angles P-C4'-P energy: -22.428 tors. eta vs tors. theta energy: 6.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1484.294942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.294942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.294942 (E_RNA) where: Base-Base interactions energy: -1037.683 where: short stacking energy: -458.102 Base-Backbone interact. energy: -1.016 local terms energy: -445.595970 where: bonds (distance) C4'-P energy: -81.621 bonds (distance) P-C4' energy: -88.030 flat angles C4'-P-C4' energy: -89.785 flat angles P-C4'-P energy: -62.160 tors. eta vs tors. theta energy: -124.000 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: 6 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1413.625215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.625215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.625215 (E_RNA) where: Base-Base interactions energy: -992.558 where: short stacking energy: -410.493 Base-Backbone interact. energy: -1.583 local terms energy: -419.484654 where: bonds (distance) C4'-P energy: -82.640 bonds (distance) P-C4' energy: -75.833 flat angles C4'-P-C4' energy: -89.579 flat angles P-C4'-P energy: -62.799 tors. eta vs tors. theta energy: -108.634 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: 3, replica: 1 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1359.872723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.872723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.872723 (E_RNA) where: Base-Base interactions energy: -952.898 where: short stacking energy: -405.470 Base-Backbone interact. energy: -2.765 local terms energy: -404.209163 where: bonds (distance) C4'-P energy: -76.993 bonds (distance) P-C4' energy: -72.591 flat angles C4'-P-C4' energy: -89.553 flat angles P-C4'-P energy: -61.055 tors. eta vs tors. theta energy: -104.018 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: 4, replica: 7 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -1269.441200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.441200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.441200 (E_RNA) where: Base-Base interactions energy: -874.344 where: short stacking energy: -371.507 Base-Backbone interact. energy: -0.588 local terms energy: -394.509379 where: bonds (distance) C4'-P energy: -70.648 bonds (distance) P-C4' energy: -77.730 flat angles C4'-P-C4' energy: -92.418 flat angles P-C4'-P energy: -62.801 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: 5, replica: 8 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1255.097377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.097377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.097377 (E_RNA) where: Base-Base interactions energy: -868.178 where: short stacking energy: -393.658 Base-Backbone interact. energy: -2.089 local terms energy: -384.830393 where: bonds (distance) C4'-P energy: -77.139 bonds (distance) P-C4' energy: -79.254 flat angles C4'-P-C4' energy: -82.829 flat angles P-C4'-P energy: -46.822 tors. eta vs tors. theta energy: -98.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1098.851798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.851798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.851798 (E_RNA) where: Base-Base interactions energy: -759.695 where: short stacking energy: -327.415 Base-Backbone interact. energy: -2.034 local terms energy: -337.122135 where: bonds (distance) C4'-P energy: -61.259 bonds (distance) P-C4' energy: -76.252 flat angles C4'-P-C4' energy: -76.763 flat angles P-C4'-P energy: -47.624 tors. eta vs tors. theta energy: -75.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1060.052466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.052466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.052466 (E_RNA) where: Base-Base interactions energy: -701.575 where: short stacking energy: -327.030 Base-Backbone interact. energy: 1.157 local terms energy: -359.634466 where: bonds (distance) C4'-P energy: -56.702 bonds (distance) P-C4' energy: -73.723 flat angles C4'-P-C4' energy: -89.811 flat angles P-C4'-P energy: -52.848 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: 8, replica: 3 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -949.570194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.570194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.570194 (E_RNA) where: Base-Base interactions energy: -647.847 where: short stacking energy: -290.062 Base-Backbone interact. energy: 0.303 local terms energy: -302.026365 where: bonds (distance) C4'-P energy: -61.783 bonds (distance) P-C4' energy: -74.489 flat angles C4'-P-C4' energy: -67.768 flat angles P-C4'-P energy: -31.511 tors. eta vs tors. theta energy: -66.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -903.148476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.148476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.148476 (E_RNA) where: Base-Base interactions energy: -581.255 where: short stacking energy: -273.087 Base-Backbone interact. energy: -3.451 local terms energy: -318.442643 where: bonds (distance) C4'-P energy: -61.316 bonds (distance) P-C4' energy: -62.054 flat angles C4'-P-C4' energy: -76.788 flat angles P-C4'-P energy: -56.036 tors. eta vs tors. theta energy: -62.248 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: 4 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -374.351762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.351762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.351762 (E_RNA) where: Base-Base interactions energy: -127.897 where: short stacking energy: -117.830 Base-Backbone interact. energy: 0.824 local terms energy: -247.279028 where: bonds (distance) C4'-P energy: -73.167 bonds (distance) P-C4' energy: -78.816 flat angles C4'-P-C4' energy: -55.692 flat angles P-C4'-P energy: -45.256 tors. eta vs tors. theta energy: 5.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1501.035477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.035477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.035477 (E_RNA) where: Base-Base interactions energy: -1054.492 where: short stacking energy: -444.951 Base-Backbone interact. energy: -4.230 local terms energy: -442.313969 where: bonds (distance) C4'-P energy: -77.564 bonds (distance) P-C4' energy: -84.042 flat angles C4'-P-C4' energy: -90.468 flat angles P-C4'-P energy: -59.635 tors. eta vs tors. theta energy: -130.606 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: 6 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1398.253764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.253764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.253764 (E_RNA) where: Base-Base interactions energy: -975.990 where: short stacking energy: -408.117 Base-Backbone interact. energy: -1.520 local terms energy: -420.743782 where: bonds (distance) C4'-P energy: -93.125 bonds (distance) P-C4' energy: -70.794 flat angles C4'-P-C4' energy: -87.052 flat angles P-C4'-P energy: -59.728 tors. eta vs tors. theta energy: -110.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1344.173290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.173290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.173290 (E_RNA) where: Base-Base interactions energy: -923.532 where: short stacking energy: -416.563 Base-Backbone interact. energy: -1.153 local terms energy: -419.488127 where: bonds (distance) C4'-P energy: -72.425 bonds (distance) P-C4' energy: -86.732 flat angles C4'-P-C4' energy: -89.143 flat angles P-C4'-P energy: -60.998 tors. eta vs tors. theta energy: -110.190 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: 98 Temperature: 1.050000 Total energy: -1309.714615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.714615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.714615 (E_RNA) where: Base-Base interactions energy: -911.708 where: short stacking energy: -373.432 Base-Backbone interact. energy: 1.887 local terms energy: -399.893910 where: bonds (distance) C4'-P energy: -78.020 bonds (distance) P-C4' energy: -86.289 flat angles C4'-P-C4' energy: -93.217 flat angles P-C4'-P energy: -46.396 tors. eta vs tors. theta energy: -95.971 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: 5, replica: 8 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1239.948339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.948339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.948339 (E_RNA) where: Base-Base interactions energy: -855.440 where: short stacking energy: -374.677 Base-Backbone interact. energy: -0.073 local terms energy: -384.435110 where: bonds (distance) C4'-P energy: -69.870 bonds (distance) P-C4' energy: -67.367 flat angles C4'-P-C4' energy: -87.061 flat angles P-C4'-P energy: -57.573 tors. eta vs tors. theta energy: -102.565 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: 6, replica: 2 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1094.853737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.853737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.853737 (E_RNA) where: Base-Base interactions energy: -744.779 where: short stacking energy: -325.591 Base-Backbone interact. energy: -1.708 local terms energy: -348.366702 where: bonds (distance) C4'-P energy: -69.217 bonds (distance) P-C4' energy: -75.793 flat angles C4'-P-C4' energy: -79.981 flat angles P-C4'-P energy: -52.048 tors. eta vs tors. theta energy: -71.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1002.630952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.630952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.630952 (E_RNA) where: Base-Base interactions energy: -704.915 where: short stacking energy: -320.438 Base-Backbone interact. energy: -3.251 local terms energy: -294.464823 where: bonds (distance) C4'-P energy: -59.393 bonds (distance) P-C4' energy: -49.268 flat angles C4'-P-C4' energy: -73.012 flat angles P-C4'-P energy: -36.376 tors. eta vs tors. theta energy: -76.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1012.709103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.709103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.709103 (E_RNA) where: Base-Base interactions energy: -683.322 where: short stacking energy: -310.095 Base-Backbone interact. energy: -2.153 local terms energy: -327.234672 where: bonds (distance) C4'-P energy: -70.074 bonds (distance) P-C4' energy: -63.421 flat angles C4'-P-C4' energy: -78.319 flat angles P-C4'-P energy: -48.252 tors. eta vs tors. theta energy: -67.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -914.392713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.392713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.392713 (E_RNA) where: Base-Base interactions energy: -596.666 where: short stacking energy: -283.599 Base-Backbone interact. energy: 1.344 local terms energy: -319.071258 where: bonds (distance) C4'-P energy: -75.646 bonds (distance) P-C4' energy: -60.461 flat angles C4'-P-C4' energy: -79.084 flat angles P-C4'-P energy: -44.689 tors. eta vs tors. theta energy: -59.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -446.539945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.539945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.539945 (E_RNA) where: Base-Base interactions energy: -222.597 where: short stacking energy: -141.893 Base-Backbone interact. energy: 0.435 local terms energy: -224.378300 where: bonds (distance) C4'-P energy: -53.268 bonds (distance) P-C4' energy: -68.438 flat angles C4'-P-C4' energy: -47.112 flat angles P-C4'-P energy: -43.099 tors. eta vs tors. theta energy: -12.462 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: 10 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1492.973235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.973235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.973235 (E_RNA) where: Base-Base interactions energy: -1067.998 where: short stacking energy: -441.950 Base-Backbone interact. energy: -0.705 local terms energy: -424.269777 where: bonds (distance) C4'-P energy: -78.933 bonds (distance) P-C4' energy: -80.008 flat angles C4'-P-C4' energy: -85.173 flat angles P-C4'-P energy: -57.716 tors. eta vs tors. theta energy: -122.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1417.277917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.277917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.277917 (E_RNA) where: Base-Base interactions energy: -976.409 where: short stacking energy: -412.766 Base-Backbone interact. energy: -1.210 local terms energy: -439.659099 where: bonds (distance) C4'-P energy: -82.622 bonds (distance) P-C4' energy: -90.919 flat angles C4'-P-C4' energy: -94.129 flat angles P-C4'-P energy: -60.515 tors. eta vs tors. theta energy: -111.473 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: 3, replica: 7 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1342.895223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.895223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.895223 (E_RNA) where: Base-Base interactions energy: -927.999 where: short stacking energy: -405.559 Base-Backbone interact. energy: -0.815 local terms energy: -414.081885 where: bonds (distance) C4'-P energy: -68.824 bonds (distance) P-C4' energy: -80.612 flat angles C4'-P-C4' energy: -92.431 flat angles P-C4'-P energy: -61.991 tors. eta vs tors. theta energy: -110.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1294.602468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.602468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.602468 (E_RNA) where: Base-Base interactions energy: -909.995 where: short stacking energy: -384.340 Base-Backbone interact. energy: 0.361 local terms energy: -384.967977 where: bonds (distance) C4'-P energy: -84.842 bonds (distance) P-C4' energy: -73.118 flat angles C4'-P-C4' energy: -76.439 flat angles P-C4'-P energy: -55.234 tors. eta vs tors. theta energy: -95.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1212.491344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.491344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.491344 (E_RNA) where: Base-Base interactions energy: -831.266 where: short stacking energy: -364.607 Base-Backbone interact. energy: -1.059 local terms energy: -380.165931 where: bonds (distance) C4'-P energy: -71.664 bonds (distance) P-C4' energy: -67.559 flat angles C4'-P-C4' energy: -86.919 flat angles P-C4'-P energy: -56.746 tors. eta vs tors. theta energy: -97.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1084.960467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.960467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.960467 (E_RNA) where: Base-Base interactions energy: -751.215 where: short stacking energy: -333.682 Base-Backbone interact. energy: -0.434 local terms energy: -333.311649 where: bonds (distance) C4'-P energy: -69.386 bonds (distance) P-C4' energy: -69.615 flat angles C4'-P-C4' energy: -71.999 flat angles P-C4'-P energy: -50.416 tors. eta vs tors. theta energy: -71.895 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: 7, replica: 3 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -963.755234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.755234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.755234 (E_RNA) where: Base-Base interactions energy: -630.528 where: short stacking energy: -287.435 Base-Backbone interact. energy: -3.702 local terms energy: -329.524820 where: bonds (distance) C4'-P energy: -67.988 bonds (distance) P-C4' energy: -73.642 flat angles C4'-P-C4' energy: -73.340 flat angles P-C4'-P energy: -54.651 tors. eta vs tors. theta energy: -59.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -999.557961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.557961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.557961 (E_RNA) where: Base-Base interactions energy: -675.529 where: short stacking energy: -324.564 Base-Backbone interact. energy: -0.686 local terms energy: -323.342074 where: bonds (distance) C4'-P energy: -79.974 bonds (distance) P-C4' energy: -71.588 flat angles C4'-P-C4' energy: -64.962 flat angles P-C4'-P energy: -42.563 tors. eta vs tors. theta energy: -64.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -824.551520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.551520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.551520 (E_RNA) where: Base-Base interactions energy: -538.293 where: short stacking energy: -227.117 Base-Backbone interact. energy: 0.913 local terms energy: -287.172028 where: bonds (distance) C4'-P energy: -64.598 bonds (distance) P-C4' energy: -72.002 flat angles C4'-P-C4' energy: -66.216 flat angles P-C4'-P energy: -45.275 tors. eta vs tors. theta energy: -39.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -429.941514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.941514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.941514 (E_RNA) where: Base-Base interactions energy: -195.038 where: short stacking energy: -117.784 Base-Backbone interact. energy: -3.700 local terms energy: -231.203836 where: bonds (distance) C4'-P energy: -73.368 bonds (distance) P-C4' energy: -66.492 flat angles C4'-P-C4' energy: -61.401 flat angles P-C4'-P energy: -36.632 tors. eta vs tors. theta energy: 6.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1509.519814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.519814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.519814 (E_RNA) where: Base-Base interactions energy: -1053.922 where: short stacking energy: -454.229 Base-Backbone interact. energy: -1.324 local terms energy: -454.273871 where: bonds (distance) C4'-P energy: -87.656 bonds (distance) P-C4' energy: -81.470 flat angles C4'-P-C4' energy: -89.563 flat angles P-C4'-P energy: -63.595 tors. eta vs tors. theta energy: -131.990 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: 6 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1410.411407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.411407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.411407 (E_RNA) where: Base-Base interactions energy: -996.261 where: short stacking energy: -409.271 Base-Backbone interact. energy: -1.792 local terms energy: -412.358292 where: bonds (distance) C4'-P energy: -67.385 bonds (distance) P-C4' energy: -80.114 flat angles C4'-P-C4' energy: -96.174 flat angles P-C4'-P energy: -56.638 tors. eta vs tors. theta energy: -112.048 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: 7 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1347.824776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.824776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.824776 (E_RNA) where: Base-Base interactions energy: -920.100 where: short stacking energy: -407.922 Base-Backbone interact. energy: -2.148 local terms energy: -425.577403 where: bonds (distance) C4'-P energy: -77.208 bonds (distance) P-C4' energy: -88.992 flat angles C4'-P-C4' energy: -93.171 flat angles P-C4'-P energy: -58.311 tors. eta vs tors. theta energy: -107.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1291.413149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.413149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.413149 (E_RNA) where: Base-Base interactions energy: -909.921 where: short stacking energy: -385.641 Base-Backbone interact. energy: -3.021 local terms energy: -378.470803 where: bonds (distance) C4'-P energy: -73.603 bonds (distance) P-C4' energy: -85.527 flat angles C4'-P-C4' energy: -74.425 flat angles P-C4'-P energy: -51.226 tors. eta vs tors. theta energy: -93.690 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: 2 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1171.381893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.381893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.381893 (E_RNA) where: Base-Base interactions energy: -815.937 where: short stacking energy: -381.334 Base-Backbone interact. energy: -3.448 local terms energy: -351.996736 where: bonds (distance) C4'-P energy: -54.828 bonds (distance) P-C4' energy: -79.119 flat angles C4'-P-C4' energy: -79.823 flat angles P-C4'-P energy: -47.086 tors. eta vs tors. theta energy: -91.140 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: 8 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1244.602635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.602635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.602635 (E_RNA) where: Base-Base interactions energy: -856.605 where: short stacking energy: -360.043 Base-Backbone interact. energy: 2.654 local terms energy: -390.651218 where: bonds (distance) C4'-P energy: -79.814 bonds (distance) P-C4' energy: -72.783 flat angles C4'-P-C4' energy: -80.106 flat angles P-C4'-P energy: -54.259 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: 7, replica: 3 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -975.422905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.422905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.422905 (E_RNA) where: Base-Base interactions energy: -658.693 where: short stacking energy: -258.727 Base-Backbone interact. energy: -0.380 local terms energy: -316.350326 where: bonds (distance) C4'-P energy: -75.455 bonds (distance) P-C4' energy: -83.186 flat angles C4'-P-C4' energy: -73.941 flat angles P-C4'-P energy: -40.347 tors. eta vs tors. theta energy: -43.420 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: 100 Temperature: 1.250000 Total energy: -984.939511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.939511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.939511 (E_RNA) where: Base-Base interactions energy: -680.106 where: short stacking energy: -282.604 Base-Backbone interact. energy: 2.720 local terms energy: -307.553839 where: bonds (distance) C4'-P energy: -61.403 bonds (distance) P-C4' energy: -72.116 flat angles C4'-P-C4' energy: -75.101 flat angles P-C4'-P energy: -49.978 tors. eta vs tors. theta energy: -48.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -864.467330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.467330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.467330 (E_RNA) where: Base-Base interactions energy: -558.387 where: short stacking energy: -261.604 Base-Backbone interact. energy: 1.667 local terms energy: -307.747912 where: bonds (distance) C4'-P energy: -78.876 bonds (distance) P-C4' energy: -63.239 flat angles C4'-P-C4' energy: -67.657 flat angles P-C4'-P energy: -42.250 tors. eta vs tors. theta energy: -55.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -476.931454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.931454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.931454 (E_RNA) where: Base-Base interactions energy: -244.520 where: short stacking energy: -159.681 Base-Backbone interact. energy: -1.204 local terms energy: -231.207481 where: bonds (distance) C4'-P energy: -57.588 bonds (distance) P-C4' energy: -64.981 flat angles C4'-P-C4' energy: -59.368 flat angles P-C4'-P energy: -35.268 tors. eta vs tors. theta energy: -14.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1517.383627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.383627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.383627 (E_RNA) where: Base-Base interactions energy: -1055.651 where: short stacking energy: -455.922 Base-Backbone interact. energy: -1.302 local terms energy: -460.430531 where: bonds (distance) C4'-P energy: -82.611 bonds (distance) P-C4' energy: -85.855 flat angles C4'-P-C4' energy: -92.377 flat angles P-C4'-P energy: -59.225 tors. eta vs tors. theta energy: -140.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1427.750502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.750502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.750502 (E_RNA) where: Base-Base interactions energy: -972.169 where: short stacking energy: -408.810 Base-Backbone interact. energy: -1.298 local terms energy: -454.283096 where: bonds (distance) C4'-P energy: -78.630 bonds (distance) P-C4' energy: -93.591 flat angles C4'-P-C4' energy: -101.789 flat angles P-C4'-P energy: -67.132 tors. eta vs tors. theta energy: -113.142 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: 7 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1341.545434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.545434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.545434 (E_RNA) where: Base-Base interactions energy: -908.283 where: short stacking energy: -389.705 Base-Backbone interact. energy: -0.135 local terms energy: -433.126740 where: bonds (distance) C4'-P energy: -82.879 bonds (distance) P-C4' energy: -85.366 flat angles C4'-P-C4' energy: -94.702 flat angles P-C4'-P energy: -55.279 tors. eta vs tors. theta energy: -114.901 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: 1 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1294.038186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.038186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.038186 (E_RNA) where: Base-Base interactions energy: -901.722 where: short stacking energy: -389.634 Base-Backbone interact. energy: -1.466 local terms energy: -390.849998 where: bonds (distance) C4'-P energy: -81.385 bonds (distance) P-C4' energy: -76.975 flat angles C4'-P-C4' energy: -89.915 flat angles P-C4'-P energy: -51.135 tors. eta vs tors. theta energy: -91.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1224.799264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.799264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.799264 (E_RNA) where: Base-Base interactions energy: -836.354 where: short stacking energy: -364.062 Base-Backbone interact. energy: -2.125 local terms energy: -386.320023 where: bonds (distance) C4'-P energy: -75.564 bonds (distance) P-C4' energy: -74.254 flat angles C4'-P-C4' energy: -89.620 flat angles P-C4'-P energy: -62.803 tors. eta vs tors. theta energy: -84.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1199.038990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.038990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.038990 (E_RNA) where: Base-Base interactions energy: -829.575 where: short stacking energy: -347.774 Base-Backbone interact. energy: -2.052 local terms energy: -367.411687 where: bonds (distance) C4'-P energy: -77.719 bonds (distance) P-C4' energy: -65.600 flat angles C4'-P-C4' energy: -65.758 flat angles P-C4'-P energy: -56.175 tors. eta vs tors. theta energy: -102.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1051.373274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.373274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.373274 (E_RNA) where: Base-Base interactions energy: -705.033 where: short stacking energy: -291.235 Base-Backbone interact. energy: 0.036 local terms energy: -346.375791 where: bonds (distance) C4'-P energy: -76.076 bonds (distance) P-C4' energy: -71.679 flat angles C4'-P-C4' energy: -72.902 flat angles P-C4'-P energy: -60.198 tors. eta vs tors. theta energy: -65.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -953.730206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.730206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.730206 (E_RNA) where: Base-Base interactions energy: -625.528 where: short stacking energy: -267.230 Base-Backbone interact. energy: 2.571 local terms energy: -330.773160 where: bonds (distance) C4'-P energy: -81.148 bonds (distance) P-C4' energy: -75.103 flat angles C4'-P-C4' energy: -79.657 flat angles P-C4'-P energy: -31.756 tors. eta vs tors. theta energy: -63.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -880.671363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.671363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.671363 (E_RNA) where: Base-Base interactions energy: -594.956 where: short stacking energy: -253.707 Base-Backbone interact. energy: -1.913 local terms energy: -283.803066 where: bonds (distance) C4'-P energy: -78.576 bonds (distance) P-C4' energy: -71.881 flat angles C4'-P-C4' energy: -45.897 flat angles P-C4'-P energy: -41.707 tors. eta vs tors. theta energy: -45.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -443.382316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.382316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.382316 (E_RNA) where: Base-Base interactions energy: -199.958 where: short stacking energy: -130.007 Base-Backbone interact. energy: 0.430 local terms energy: -243.853826 where: bonds (distance) C4'-P energy: -72.088 bonds (distance) P-C4' energy: -80.427 flat angles C4'-P-C4' energy: -65.284 flat angles P-C4'-P energy: -34.308 tors. eta vs tors. theta energy: 8.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1520.555800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.555800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.555800 (E_RNA) where: Base-Base interactions energy: -1075.414 where: short stacking energy: -452.912 Base-Backbone interact. energy: -2.678 local terms energy: -442.463549 where: bonds (distance) C4'-P energy: -80.982 bonds (distance) P-C4' energy: -80.440 flat angles C4'-P-C4' energy: -90.317 flat angles P-C4'-P energy: -53.530 tors. eta vs tors. theta energy: -137.195 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: 6 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -1414.078777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.078777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.078777 (E_RNA) where: Base-Base interactions energy: -985.244 where: short stacking energy: -414.178 Base-Backbone interact. energy: 0.382 local terms energy: -429.217261 where: bonds (distance) C4'-P energy: -85.499 bonds (distance) P-C4' energy: -83.024 flat angles C4'-P-C4' energy: -89.471 flat angles P-C4'-P energy: -58.103 tors. eta vs tors. theta energy: -113.119 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: 3, replica: 7 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1344.922019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.922019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.922019 (E_RNA) where: Base-Base interactions energy: -915.175 where: short stacking energy: -381.219 Base-Backbone interact. energy: -5.031 local terms energy: -424.715828 where: bonds (distance) C4'-P energy: -79.174 bonds (distance) P-C4' energy: -81.074 flat angles C4'-P-C4' energy: -94.090 flat angles P-C4'-P energy: -70.564 tors. eta vs tors. theta energy: -99.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1263.001963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.001963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.001963 (E_RNA) where: Base-Base interactions energy: -885.469 where: short stacking energy: -350.371 Base-Backbone interact. energy: -1.078 local terms energy: -376.455663 where: bonds (distance) C4'-P energy: -71.373 bonds (distance) P-C4' energy: -79.623 flat angles C4'-P-C4' energy: -87.794 flat angles P-C4'-P energy: -51.156 tors. eta vs tors. theta energy: -86.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1202.877375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.877375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.877375 (E_RNA) where: Base-Base interactions energy: -828.459 where: short stacking energy: -355.847 Base-Backbone interact. energy: -2.627 local terms energy: -371.791176 where: bonds (distance) C4'-P energy: -63.628 bonds (distance) P-C4' energy: -73.392 flat angles C4'-P-C4' energy: -97.170 flat angles P-C4'-P energy: -47.852 tors. eta vs tors. theta energy: -89.750 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: 2 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1194.984728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.984728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.984728 (E_RNA) where: Base-Base interactions energy: -832.575 where: short stacking energy: -367.633 Base-Backbone interact. energy: 0.235 local terms energy: -362.645453 where: bonds (distance) C4'-P energy: -74.737 bonds (distance) P-C4' energy: -72.928 flat angles C4'-P-C4' energy: -77.931 flat angles P-C4'-P energy: -49.947 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: 7, replica: 3 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -991.445690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.445690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.445690 (E_RNA) where: Base-Base interactions energy: -637.984 where: short stacking energy: -277.470 Base-Backbone interact. energy: -1.816 local terms energy: -351.645192 where: bonds (distance) C4'-P energy: -72.755 bonds (distance) P-C4' energy: -78.435 flat angles C4'-P-C4' energy: -81.352 flat angles P-C4'-P energy: -54.808 tors. eta vs tors. theta energy: -64.295 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: 5 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -960.378108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.378108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.378108 (E_RNA) where: Base-Base interactions energy: -658.991 where: short stacking energy: -277.214 Base-Backbone interact. energy: -2.490 local terms energy: -298.897019 where: bonds (distance) C4'-P energy: -72.412 bonds (distance) P-C4' energy: -65.647 flat angles C4'-P-C4' energy: -71.401 flat angles P-C4'-P energy: -39.552 tors. eta vs tors. theta energy: -49.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -919.518399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.518399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.518399 (E_RNA) where: Base-Base interactions energy: -598.018 where: short stacking energy: -266.889 Base-Backbone interact. energy: -3.460 local terms energy: -318.040889 where: bonds (distance) C4'-P energy: -59.000 bonds (distance) P-C4' energy: -69.717 flat angles C4'-P-C4' energy: -81.138 flat angles P-C4'-P energy: -46.081 tors. eta vs tors. theta energy: -62.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -455.555977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.555977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.555977 (E_RNA) where: Base-Base interactions energy: -226.589 where: short stacking energy: -144.975 Base-Backbone interact. energy: -0.368 local terms energy: -228.599418 where: bonds (distance) C4'-P energy: -62.238 bonds (distance) P-C4' energy: -75.748 flat angles C4'-P-C4' energy: -57.861 flat angles P-C4'-P energy: -28.519 tors. eta vs tors. theta energy: -4.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1510.625795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.625795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.625795 (E_RNA) where: Base-Base interactions energy: -1041.612 where: short stacking energy: -454.117 Base-Backbone interact. energy: -0.744 local terms energy: -468.269680 where: bonds (distance) C4'-P energy: -80.403 bonds (distance) P-C4' energy: -91.702 flat angles C4'-P-C4' energy: -93.707 flat angles P-C4'-P energy: -69.861 tors. eta vs tors. theta energy: -132.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1436.568967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.568967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.568967 (E_RNA) where: Base-Base interactions energy: -998.465 where: short stacking energy: -424.533 Base-Backbone interact. energy: 0.493 local terms energy: -438.597328 where: bonds (distance) C4'-P energy: -88.939 bonds (distance) P-C4' energy: -86.242 flat angles C4'-P-C4' energy: -85.811 flat angles P-C4'-P energy: -66.888 tors. eta vs tors. theta energy: -110.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1327.079265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.079265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.079265 (E_RNA) where: Base-Base interactions energy: -902.729 where: short stacking energy: -389.105 Base-Backbone interact. energy: -1.680 local terms energy: -422.670131 where: bonds (distance) C4'-P energy: -81.939 bonds (distance) P-C4' energy: -82.307 flat angles C4'-P-C4' energy: -91.755 flat angles P-C4'-P energy: -59.999 tors. eta vs tors. theta energy: -106.670 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: 1 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1310.100813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.100813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.100813 (E_RNA) where: Base-Base interactions energy: -922.057 where: short stacking energy: -396.832 Base-Backbone interact. energy: -3.938 local terms energy: -384.106063 where: bonds (distance) C4'-P energy: -75.860 bonds (distance) P-C4' energy: -62.929 flat angles C4'-P-C4' energy: -95.968 flat angles P-C4'-P energy: -46.312 tors. eta vs tors. theta energy: -103.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1202.236899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.236899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.236899 (E_RNA) where: Base-Base interactions energy: -800.307 where: short stacking energy: -374.062 Base-Backbone interact. energy: 0.403 local terms energy: -402.333378 where: bonds (distance) C4'-P energy: -68.959 bonds (distance) P-C4' energy: -75.048 flat angles C4'-P-C4' energy: -85.774 flat angles P-C4'-P energy: -61.126 tors. eta vs tors. theta energy: -111.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1217.548765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.548765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.548765 (E_RNA) where: Base-Base interactions energy: -825.605 where: short stacking energy: -351.881 Base-Backbone interact. energy: -0.249 local terms energy: -391.694716 where: bonds (distance) C4'-P energy: -80.545 bonds (distance) P-C4' energy: -76.273 flat angles C4'-P-C4' energy: -92.380 flat angles P-C4'-P energy: -51.099 tors. eta vs tors. theta energy: -91.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1014.297773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.297773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.297773 (E_RNA) where: Base-Base interactions energy: -668.570 where: short stacking energy: -277.057 Base-Backbone interact. energy: -0.231 local terms energy: -345.496739 where: bonds (distance) C4'-P energy: -68.386 bonds (distance) P-C4' energy: -66.500 flat angles C4'-P-C4' energy: -83.865 flat angles P-C4'-P energy: -57.078 tors. eta vs tors. theta energy: -69.668 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: 9 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -996.261658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.261658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.261658 (E_RNA) where: Base-Base interactions energy: -677.073 where: short stacking energy: -299.403 Base-Backbone interact. energy: -1.068 local terms energy: -318.121008 where: bonds (distance) C4'-P energy: -58.623 bonds (distance) P-C4' energy: -82.957 flat angles C4'-P-C4' energy: -65.360 flat angles P-C4'-P energy: -43.053 tors. eta vs tors. theta energy: -68.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -945.243699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.243699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.243699 (E_RNA) where: Base-Base interactions energy: -650.386 where: short stacking energy: -259.921 Base-Backbone interact. energy: -0.805 local terms energy: -294.053477 where: bonds (distance) C4'-P energy: -64.556 bonds (distance) P-C4' energy: -74.197 flat angles C4'-P-C4' energy: -71.412 flat angles P-C4'-P energy: -43.151 tors. eta vs tors. theta energy: -40.738 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: 4 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -456.335442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.335442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.335442 (E_RNA) where: Base-Base interactions energy: -230.936 where: short stacking energy: -139.211 Base-Backbone interact. energy: -0.345 local terms energy: -225.054532 where: bonds (distance) C4'-P energy: -54.808 bonds (distance) P-C4' energy: -58.725 flat angles C4'-P-C4' energy: -68.803 flat angles P-C4'-P energy: -39.128 tors. eta vs tors. theta energy: -3.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1481.485103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.485103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.485103 (E_RNA) where: Base-Base interactions energy: -1027.780 where: short stacking energy: -420.620 Base-Backbone interact. energy: -1.239 local terms energy: -452.465888 where: bonds (distance) C4'-P energy: -90.098 bonds (distance) P-C4' energy: -80.391 flat angles C4'-P-C4' energy: -94.605 flat angles P-C4'-P energy: -63.312 tors. eta vs tors. theta energy: -124.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1463.644193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.644193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.644193 (E_RNA) where: Base-Base interactions energy: -1030.666 where: short stacking energy: -459.169 Base-Backbone interact. energy: -0.707 local terms energy: -432.271138 where: bonds (distance) C4'-P energy: -85.057 bonds (distance) P-C4' energy: -76.879 flat angles C4'-P-C4' energy: -90.665 flat angles P-C4'-P energy: -54.261 tors. eta vs tors. theta energy: -125.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1378.080000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.080000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.080000 (E_RNA) where: Base-Base interactions energy: -973.281 where: short stacking energy: -385.105 Base-Backbone interact. energy: -4.073 local terms energy: -400.725763 where: bonds (distance) C4'-P energy: -76.746 bonds (distance) P-C4' energy: -78.558 flat angles C4'-P-C4' energy: -97.912 flat angles P-C4'-P energy: -49.390 tors. eta vs tors. theta energy: -98.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1269.897378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.897378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.897378 (E_RNA) where: Base-Base interactions energy: -855.422 where: short stacking energy: -369.955 Base-Backbone interact. energy: -0.745 local terms energy: -413.730338 where: bonds (distance) C4'-P energy: -88.676 bonds (distance) P-C4' energy: -75.913 flat angles C4'-P-C4' energy: -89.607 flat angles P-C4'-P energy: -62.605 tors. eta vs tors. theta energy: -96.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1240.078371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.078371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.078371 (E_RNA) where: Base-Base interactions energy: -846.147 where: short stacking energy: -395.118 Base-Backbone interact. energy: -2.055 local terms energy: -391.876250 where: bonds (distance) C4'-P energy: -71.409 bonds (distance) P-C4' energy: -75.357 flat angles C4'-P-C4' energy: -87.825 flat angles P-C4'-P energy: -60.444 tors. eta vs tors. theta energy: -96.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1162.582717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.582717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.582717 (E_RNA) where: Base-Base interactions energy: -784.458 where: short stacking energy: -332.598 Base-Backbone interact. energy: 1.032 local terms energy: -379.156029 where: bonds (distance) C4'-P energy: -73.162 bonds (distance) P-C4' energy: -83.738 flat angles C4'-P-C4' energy: -71.378 flat angles P-C4'-P energy: -56.433 tors. eta vs tors. theta energy: -94.446 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: 9 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1025.133817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.133817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.133817 (E_RNA) where: Base-Base interactions energy: -673.404 where: short stacking energy: -288.528 Base-Backbone interact. energy: 0.195 local terms energy: -351.924930 where: bonds (distance) C4'-P energy: -65.101 bonds (distance) P-C4' energy: -84.494 flat angles C4'-P-C4' energy: -70.169 flat angles P-C4'-P energy: -58.512 tors. eta vs tors. theta energy: -73.650 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: 104 Temperature: 1.250000 Total energy: -999.476314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.476314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.476314 (E_RNA) where: Base-Base interactions energy: -675.439 where: short stacking energy: -297.153 Base-Backbone interact. energy: 1.250 local terms energy: -325.287044 where: bonds (distance) C4'-P energy: -55.883 bonds (distance) P-C4' energy: -77.188 flat angles C4'-P-C4' energy: -83.478 flat angles P-C4'-P energy: -54.794 tors. eta vs tors. theta energy: -53.944 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: 5 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -891.415831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.415831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.415831 (E_RNA) where: Base-Base interactions energy: -627.072 where: short stacking energy: -267.743 Base-Backbone interact. energy: 2.955 local terms energy: -267.298989 where: bonds (distance) C4'-P energy: -47.564 bonds (distance) P-C4' energy: -64.403 flat angles C4'-P-C4' energy: -56.267 flat angles P-C4'-P energy: -48.243 tors. eta vs tors. theta energy: -50.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -415.267994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.267994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.267994 (E_RNA) where: Base-Base interactions energy: -175.020 where: short stacking energy: -121.826 Base-Backbone interact. energy: 0.113 local terms energy: -240.360565 where: bonds (distance) C4'-P energy: -72.541 bonds (distance) P-C4' energy: -76.344 flat angles C4'-P-C4' energy: -64.602 flat angles P-C4'-P energy: -31.511 tors. eta vs tors. theta energy: 4.637 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: 6 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1473.405624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.405624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.405624 (E_RNA) where: Base-Base interactions energy: -1028.197 where: short stacking energy: -423.262 Base-Backbone interact. energy: -1.975 local terms energy: -443.232761 where: bonds (distance) C4'-P energy: -83.556 bonds (distance) P-C4' energy: -81.555 flat angles C4'-P-C4' energy: -92.389 flat angles P-C4'-P energy: -61.167 tors. eta vs tors. theta energy: -124.566 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: 10 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1471.743728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.743728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.743728 (E_RNA) where: Base-Base interactions energy: -1018.284 where: short stacking energy: -438.926 Base-Backbone interact. energy: -5.768 local terms energy: -447.692103 where: bonds (distance) C4'-P energy: -84.850 bonds (distance) P-C4' energy: -83.802 flat angles C4'-P-C4' energy: -92.323 flat angles P-C4'-P energy: -58.985 tors. eta vs tors. theta energy: -127.732 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: 105 Temperature: 1.000000 Total energy: -1341.047248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.047248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.047248 (E_RNA) where: Base-Base interactions energy: -928.602 where: short stacking energy: -395.450 Base-Backbone interact. energy: -2.283 local terms energy: -410.162304 where: bonds (distance) C4'-P energy: -75.987 bonds (distance) P-C4' energy: -85.545 flat angles C4'-P-C4' energy: -90.635 flat angles P-C4'-P energy: -59.368 tors. eta vs tors. theta energy: -98.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1247.645337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.645337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.645337 (E_RNA) where: Base-Base interactions energy: -851.743 where: short stacking energy: -382.076 Base-Backbone interact. energy: 0.898 local terms energy: -396.800623 where: bonds (distance) C4'-P energy: -69.712 bonds (distance) P-C4' energy: -87.798 flat angles C4'-P-C4' energy: -91.725 flat angles P-C4'-P energy: -44.964 tors. eta vs tors. theta energy: -102.602 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: 2 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1225.697583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.697583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.697583 (E_RNA) where: Base-Base interactions energy: -834.102 where: short stacking energy: -389.346 Base-Backbone interact. energy: 4.158 local terms energy: -395.753151 where: bonds (distance) C4'-P energy: -77.079 bonds (distance) P-C4' energy: -71.961 flat angles C4'-P-C4' energy: -86.195 flat angles P-C4'-P energy: -54.828 tors. eta vs tors. theta energy: -105.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1191.240326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.240326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.240326 (E_RNA) where: Base-Base interactions energy: -810.537 where: short stacking energy: -342.769 Base-Backbone interact. energy: -0.647 local terms energy: -380.056005 where: bonds (distance) C4'-P energy: -68.324 bonds (distance) P-C4' energy: -77.682 flat angles C4'-P-C4' energy: -81.465 flat angles P-C4'-P energy: -51.347 tors. eta vs tors. theta energy: -101.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -995.825599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.825599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.825599 (E_RNA) where: Base-Base interactions energy: -659.368 where: short stacking energy: -315.163 Base-Backbone interact. energy: 1.491 local terms energy: -337.948336 where: bonds (distance) C4'-P energy: -71.327 bonds (distance) P-C4' energy: -72.204 flat angles C4'-P-C4' energy: -82.488 flat angles P-C4'-P energy: -43.812 tors. eta vs tors. theta energy: -68.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1010.807537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.807537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.807537 (E_RNA) where: Base-Base interactions energy: -676.015 where: short stacking energy: -285.300 Base-Backbone interact. energy: -0.911 local terms energy: -333.881736 where: bonds (distance) C4'-P energy: -63.342 bonds (distance) P-C4' energy: -84.380 flat angles C4'-P-C4' energy: -85.197 flat angles P-C4'-P energy: -42.566 tors. eta vs tors. theta energy: -58.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -857.612884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.612884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.612884 (E_RNA) where: Base-Base interactions energy: -544.263 where: short stacking energy: -255.817 Base-Backbone interact. energy: -1.005 local terms energy: -312.344443 where: bonds (distance) C4'-P energy: -60.405 bonds (distance) P-C4' energy: -72.582 flat angles C4'-P-C4' energy: -76.004 flat angles P-C4'-P energy: -57.056 tors. eta vs tors. theta energy: -46.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -441.187132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.187132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.187132 (E_RNA) where: Base-Base interactions energy: -188.610 where: short stacking energy: -136.203 Base-Backbone interact. energy: -2.301 local terms energy: -250.276298 where: bonds (distance) C4'-P energy: -77.257 bonds (distance) P-C4' energy: -69.311 flat angles C4'-P-C4' energy: -61.705 flat angles P-C4'-P energy: -33.931 tors. eta vs tors. theta energy: -8.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1497.095453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.095453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.095453 (E_RNA) where: Base-Base interactions energy: -1033.637 where: short stacking energy: -442.192 Base-Backbone interact. energy: -1.109 local terms energy: -462.348994 where: bonds (distance) C4'-P energy: -88.174 bonds (distance) P-C4' energy: -88.002 flat angles C4'-P-C4' energy: -92.361 flat angles P-C4'-P energy: -62.089 tors. eta vs tors. theta energy: -131.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1436.224619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.224619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.224619 (E_RNA) where: Base-Base interactions energy: -1000.240 where: short stacking energy: -408.110 Base-Backbone interact. energy: 5.055 local terms energy: -441.040167 where: bonds (distance) C4'-P energy: -86.623 bonds (distance) P-C4' energy: -86.452 flat angles C4'-P-C4' energy: -90.431 flat angles P-C4'-P energy: -68.808 tors. eta vs tors. theta energy: -108.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1366.121455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.121455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.121455 (E_RNA) where: Base-Base interactions energy: -961.501 where: short stacking energy: -398.308 Base-Backbone interact. energy: -3.202 local terms energy: -401.418714 where: bonds (distance) C4'-P energy: -72.668 bonds (distance) P-C4' energy: -74.923 flat angles C4'-P-C4' energy: -87.902 flat angles P-C4'-P energy: -65.969 tors. eta vs tors. theta energy: -99.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1263.550396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.550396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.550396 (E_RNA) where: Base-Base interactions energy: -857.889 where: short stacking energy: -376.147 Base-Backbone interact. energy: -1.108 local terms energy: -404.553188 where: bonds (distance) C4'-P energy: -83.684 bonds (distance) P-C4' energy: -78.435 flat angles C4'-P-C4' energy: -75.006 flat angles P-C4'-P energy: -59.506 tors. eta vs tors. theta energy: -107.922 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: 106 Temperature: 1.100000 Total energy: -1186.271356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.271356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.271356 (E_RNA) where: Base-Base interactions energy: -792.076 where: short stacking energy: -381.542 Base-Backbone interact. energy: 0.132 local terms energy: -394.326951 where: bonds (distance) C4'-P energy: -76.886 bonds (distance) P-C4' energy: -78.582 flat angles C4'-P-C4' energy: -84.280 flat angles P-C4'-P energy: -57.577 tors. eta vs tors. theta energy: -97.003 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: 6, replica: 2 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1164.752649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.752649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.752649 (E_RNA) where: Base-Base interactions energy: -790.256 where: short stacking energy: -349.663 Base-Backbone interact. energy: -1.460 local terms energy: -373.036856 where: bonds (distance) C4'-P energy: -70.012 bonds (distance) P-C4' energy: -74.662 flat angles C4'-P-C4' energy: -81.814 flat angles P-C4'-P energy: -60.839 tors. eta vs tors. theta energy: -85.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1007.185598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.185598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.185598 (E_RNA) where: Base-Base interactions energy: -677.337 where: short stacking energy: -280.782 Base-Backbone interact. energy: 2.175 local terms energy: -332.023571 where: bonds (distance) C4'-P energy: -64.183 bonds (distance) P-C4' energy: -63.775 flat angles C4'-P-C4' energy: -75.242 flat angles P-C4'-P energy: -63.078 tors. eta vs tors. theta energy: -65.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -913.474438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.474438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.474438 (E_RNA) where: Base-Base interactions energy: -601.047 where: short stacking energy: -285.497 Base-Backbone interact. energy: -2.072 local terms energy: -310.354806 where: bonds (distance) C4'-P energy: -74.174 bonds (distance) P-C4' energy: -66.568 flat angles C4'-P-C4' energy: -75.700 flat angles P-C4'-P energy: -44.054 tors. eta vs tors. theta energy: -49.859 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: 9, replica: 5 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -920.845616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.845616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.845616 (E_RNA) where: Base-Base interactions energy: -618.942 where: short stacking energy: -261.314 Base-Backbone interact. energy: -3.642 local terms energy: -298.261049 where: bonds (distance) C4'-P energy: -64.443 bonds (distance) P-C4' energy: -62.974 flat angles C4'-P-C4' energy: -65.134 flat angles P-C4'-P energy: -45.441 tors. eta vs tors. theta energy: -60.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -412.848520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.848520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.848520 (E_RNA) where: Base-Base interactions energy: -193.053 where: short stacking energy: -141.655 Base-Backbone interact. energy: -1.622 local terms energy: -218.174000 where: bonds (distance) C4'-P energy: -72.522 bonds (distance) P-C4' energy: -57.164 flat angles C4'-P-C4' energy: -54.909 flat angles P-C4'-P energy: -35.810 tors. eta vs tors. theta energy: 2.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1510.469953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.469953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.469953 (E_RNA) where: Base-Base interactions energy: -1059.243 where: short stacking energy: -455.638 Base-Backbone interact. energy: 1.244 local terms energy: -452.470981 where: bonds (distance) C4'-P energy: -72.673 bonds (distance) P-C4' energy: -85.630 flat angles C4'-P-C4' energy: -99.150 flat angles P-C4'-P energy: -59.004 tors. eta vs tors. theta energy: -136.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1433.862510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.862510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.862510 (E_RNA) where: Base-Base interactions energy: -1001.995 where: short stacking energy: -407.025 Base-Backbone interact. energy: -0.914 local terms energy: -430.953867 where: bonds (distance) C4'-P energy: -74.800 bonds (distance) P-C4' energy: -87.641 flat angles C4'-P-C4' energy: -96.770 flat angles P-C4'-P energy: -56.938 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: 3, replica: 1 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1333.801715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.801715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.801715 (E_RNA) where: Base-Base interactions energy: -940.029 where: short stacking energy: -404.387 Base-Backbone interact. energy: -0.156 local terms energy: -393.617378 where: bonds (distance) C4'-P energy: -81.608 bonds (distance) P-C4' energy: -72.734 flat angles C4'-P-C4' energy: -85.635 flat angles P-C4'-P energy: -58.841 tors. eta vs tors. theta energy: -94.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1238.582711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.582711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.582711 (E_RNA) where: Base-Base interactions energy: -824.998 where: short stacking energy: -371.058 Base-Backbone interact. energy: -0.276 local terms energy: -413.309133 where: bonds (distance) C4'-P energy: -88.298 bonds (distance) P-C4' energy: -83.041 flat angles C4'-P-C4' energy: -84.002 flat angles P-C4'-P energy: -59.356 tors. eta vs tors. theta energy: -98.612 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: 8 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1195.422282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.422282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.422282 (E_RNA) where: Base-Base interactions energy: -816.595 where: short stacking energy: -363.023 Base-Backbone interact. energy: 1.712 local terms energy: -380.539148 where: bonds (distance) C4'-P energy: -75.232 bonds (distance) P-C4' energy: -73.553 flat angles C4'-P-C4' energy: -86.443 flat angles P-C4'-P energy: -57.145 tors. eta vs tors. theta energy: -88.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1176.275312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.275312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.275312 (E_RNA) where: Base-Base interactions energy: -790.825 where: short stacking energy: -367.028 Base-Backbone interact. energy: -0.581 local terms energy: -384.869508 where: bonds (distance) C4'-P energy: -69.181 bonds (distance) P-C4' energy: -81.866 flat angles C4'-P-C4' energy: -90.123 flat angles P-C4'-P energy: -51.068 tors. eta vs tors. theta energy: -92.630 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: 7, replica: 3 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1015.014977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.014977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.014977 (E_RNA) where: Base-Base interactions energy: -691.351 where: short stacking energy: -312.153 Base-Backbone interact. energy: 2.224 local terms energy: -325.888319 where: bonds (distance) C4'-P energy: -49.812 bonds (distance) P-C4' energy: -81.818 flat angles C4'-P-C4' energy: -82.055 flat angles P-C4'-P energy: -46.831 tors. eta vs tors. theta energy: -65.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -915.932246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.932246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.932246 (E_RNA) where: Base-Base interactions energy: -594.206 where: short stacking energy: -282.735 Base-Backbone interact. energy: 0.139 local terms energy: -321.865429 where: bonds (distance) C4'-P energy: -57.320 bonds (distance) P-C4' energy: -70.976 flat angles C4'-P-C4' energy: -92.008 flat angles P-C4'-P energy: -51.008 tors. eta vs tors. theta energy: -50.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -884.078978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.078978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.078978 (E_RNA) where: Base-Base interactions energy: -598.227 where: short stacking energy: -271.537 Base-Backbone interact. energy: -1.427 local terms energy: -284.424758 where: bonds (distance) C4'-P energy: -58.928 bonds (distance) P-C4' energy: -72.278 flat angles C4'-P-C4' energy: -75.842 flat angles P-C4'-P energy: -21.871 tors. eta vs tors. theta energy: -55.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -423.521862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.521862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.521862 (E_RNA) where: Base-Base interactions energy: -187.029 where: short stacking energy: -120.337 Base-Backbone interact. energy: 0.868 local terms energy: -237.361109 where: bonds (distance) C4'-P energy: -66.611 bonds (distance) P-C4' energy: -69.561 flat angles C4'-P-C4' energy: -62.873 flat angles P-C4'-P energy: -41.942 tors. eta vs tors. theta energy: 3.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1494.790846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.790846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.790846 (E_RNA) where: Base-Base interactions energy: -1039.120 where: short stacking energy: -440.269 Base-Backbone interact. energy: -1.961 local terms energy: -453.709554 where: bonds (distance) C4'-P energy: -83.668 bonds (distance) P-C4' energy: -89.671 flat angles C4'-P-C4' energy: -97.673 flat angles P-C4'-P energy: -61.780 tors. eta vs tors. theta energy: -120.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1468.059783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.059783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.059783 (E_RNA) where: Base-Base interactions energy: -1026.152 where: short stacking energy: -437.200 Base-Backbone interact. energy: -0.190 local terms energy: -441.718619 where: bonds (distance) C4'-P energy: -89.048 bonds (distance) P-C4' energy: -76.555 flat angles C4'-P-C4' energy: -90.188 flat angles P-C4'-P energy: -56.090 tors. eta vs tors. theta energy: -129.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1345.178930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.178930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.178930 (E_RNA) where: Base-Base interactions energy: -938.158 where: short stacking energy: -414.663 Base-Backbone interact. energy: -1.050 local terms energy: -405.971171 where: bonds (distance) C4'-P energy: -78.109 bonds (distance) P-C4' energy: -77.954 flat angles C4'-P-C4' energy: -82.559 flat angles P-C4'-P energy: -66.594 tors. eta vs tors. theta energy: -100.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1241.620005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.620005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.620005 (E_RNA) where: Base-Base interactions energy: -844.623 where: short stacking energy: -392.990 Base-Backbone interact. energy: -1.577 local terms energy: -395.419417 where: bonds (distance) C4'-P energy: -74.425 bonds (distance) P-C4' energy: -81.611 flat angles C4'-P-C4' energy: -78.927 flat angles P-C4'-P energy: -54.100 tors. eta vs tors. theta energy: -106.357 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: 8 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1210.090890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.090890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.090890 (E_RNA) where: Base-Base interactions energy: -827.032 where: short stacking energy: -359.467 Base-Backbone interact. energy: -0.466 local terms energy: -382.592630 where: bonds (distance) C4'-P energy: -76.640 bonds (distance) P-C4' energy: -75.625 flat angles C4'-P-C4' energy: -70.165 flat angles P-C4'-P energy: -59.094 tors. eta vs tors. theta energy: -101.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1123.122844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.122844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.122844 (E_RNA) where: Base-Base interactions energy: -771.748 where: short stacking energy: -338.515 Base-Backbone interact. energy: -1.148 local terms energy: -350.227211 where: bonds (distance) C4'-P energy: -57.916 bonds (distance) P-C4' energy: -73.621 flat angles C4'-P-C4' energy: -85.372 flat angles P-C4'-P energy: -59.736 tors. eta vs tors. theta energy: -73.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1039.369673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.369673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.369673 (E_RNA) where: Base-Base interactions energy: -709.244 where: short stacking energy: -288.867 Base-Backbone interact. energy: -2.933 local terms energy: -327.192115 where: bonds (distance) C4'-P energy: -64.395 bonds (distance) P-C4' energy: -77.152 flat angles C4'-P-C4' energy: -72.194 flat angles P-C4'-P energy: -46.716 tors. eta vs tors. theta energy: -66.734 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: 108 Temperature: 1.250000 Total energy: -890.178914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.178914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.178914 (E_RNA) where: Base-Base interactions energy: -600.782 where: short stacking energy: -232.841 Base-Backbone interact. energy: -2.478 local terms energy: -286.919256 where: bonds (distance) C4'-P energy: -72.569 bonds (distance) P-C4' energy: -75.854 flat angles C4'-P-C4' energy: -63.276 flat angles P-C4'-P energy: -37.358 tors. eta vs tors. theta energy: -37.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -875.154852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.154852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.154852 (E_RNA) where: Base-Base interactions energy: -577.744 where: short stacking energy: -268.468 Base-Backbone interact. energy: -2.189 local terms energy: -295.220887 where: bonds (distance) C4'-P energy: -63.994 bonds (distance) P-C4' energy: -65.405 flat angles C4'-P-C4' energy: -66.814 flat angles P-C4'-P energy: -41.566 tors. eta vs tors. theta energy: -57.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -449.674838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.674838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.674838 (E_RNA) where: Base-Base interactions energy: -221.921 where: short stacking energy: -134.392 Base-Backbone interact. energy: 1.872 local terms energy: -229.625640 where: bonds (distance) C4'-P energy: -61.665 bonds (distance) P-C4' energy: -69.414 flat angles C4'-P-C4' energy: -51.437 flat angles P-C4'-P energy: -52.546 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: 1, replica: 6 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1483.812712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.812712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.812712 (E_RNA) where: Base-Base interactions energy: -1042.176 where: short stacking energy: -389.788 Base-Backbone interact. energy: -2.833 local terms energy: -438.803917 where: bonds (distance) C4'-P energy: -72.054 bonds (distance) P-C4' energy: -88.551 flat angles C4'-P-C4' energy: -95.426 flat angles P-C4'-P energy: -64.608 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: 10 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1451.482218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.482218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.482218 (E_RNA) where: Base-Base interactions energy: -1006.042 where: short stacking energy: -428.209 Base-Backbone interact. energy: -2.113 local terms energy: -443.327005 where: bonds (distance) C4'-P energy: -76.661 bonds (distance) P-C4' energy: -78.941 flat angles C4'-P-C4' energy: -97.407 flat angles P-C4'-P energy: -56.313 tors. eta vs tors. theta energy: -134.004 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: 109 Temperature: 1.000000 Total energy: -1346.462244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.462244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.462244 (E_RNA) where: Base-Base interactions energy: -922.515 where: short stacking energy: -391.154 Base-Backbone interact. energy: 1.121 local terms energy: -425.068565 where: bonds (distance) C4'-P energy: -84.665 bonds (distance) P-C4' energy: -91.097 flat angles C4'-P-C4' energy: -92.041 flat angles P-C4'-P energy: -62.640 tors. eta vs tors. theta energy: -94.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1248.867111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.867111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.867111 (E_RNA) where: Base-Base interactions energy: -846.346 where: short stacking energy: -396.967 Base-Backbone interact. energy: -1.641 local terms energy: -400.880544 where: bonds (distance) C4'-P energy: -70.472 bonds (distance) P-C4' energy: -75.008 flat angles C4'-P-C4' energy: -85.211 flat angles P-C4'-P energy: -57.879 tors. eta vs tors. theta energy: -112.311 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: 109 Temperature: 1.100000 Total energy: -1212.343045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.343045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.343045 (E_RNA) where: Base-Base interactions energy: -832.672 where: short stacking energy: -385.399 Base-Backbone interact. energy: -1.601 local terms energy: -378.070059 where: bonds (distance) C4'-P energy: -68.358 bonds (distance) P-C4' energy: -82.938 flat angles C4'-P-C4' energy: -77.888 flat angles P-C4'-P energy: -55.681 tors. eta vs tors. theta energy: -93.205 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: 109 Temperature: 1.150000 Total energy: -1085.414675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.414675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.414675 (E_RNA) where: Base-Base interactions energy: -743.624 where: short stacking energy: -316.220 Base-Backbone interact. energy: -1.112 local terms energy: -340.678724 where: bonds (distance) C4'-P energy: -72.661 bonds (distance) P-C4' energy: -77.050 flat angles C4'-P-C4' energy: -75.964 flat angles P-C4'-P energy: -36.857 tors. eta vs tors. theta energy: -78.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1122.652088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.652088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.652088 (E_RNA) where: Base-Base interactions energy: -795.840 where: short stacking energy: -339.354 Base-Backbone interact. energy: -2.608 local terms energy: -324.203981 where: bonds (distance) C4'-P energy: -78.729 bonds (distance) P-C4' energy: -53.718 flat angles C4'-P-C4' energy: -68.216 flat angles P-C4'-P energy: -35.064 tors. eta vs tors. theta energy: -88.477 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: 9 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -931.220383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.220383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.220383 (E_RNA) where: Base-Base interactions energy: -629.257 where: short stacking energy: -280.135 Base-Backbone interact. energy: -0.229 local terms energy: -301.734049 where: bonds (distance) C4'-P energy: -72.525 bonds (distance) P-C4' energy: -66.006 flat angles C4'-P-C4' energy: -61.302 flat angles P-C4'-P energy: -52.891 tors. eta vs tors. theta energy: -49.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -885.767331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.767331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.767331 (E_RNA) where: Base-Base interactions energy: -564.086 where: short stacking energy: -263.523 Base-Backbone interact. energy: -0.932 local terms energy: -320.749362 where: bonds (distance) C4'-P energy: -75.684 bonds (distance) P-C4' energy: -64.259 flat angles C4'-P-C4' energy: -86.811 flat angles P-C4'-P energy: -33.100 tors. eta vs tors. theta energy: -60.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -422.308379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.308379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.308379 (E_RNA) where: Base-Base interactions energy: -192.468 where: short stacking energy: -130.637 Base-Backbone interact. energy: 2.175 local terms energy: -232.015461 where: bonds (distance) C4'-P energy: -61.478 bonds (distance) P-C4' energy: -67.870 flat angles C4'-P-C4' energy: -53.610 flat angles P-C4'-P energy: -49.900 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: 1, replica: 6 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1487.775918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.775918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.775918 (E_RNA) where: Base-Base interactions energy: -1033.026 where: short stacking energy: -418.591 Base-Backbone interact. energy: -0.104 local terms energy: -454.645844 where: bonds (distance) C4'-P energy: -88.407 bonds (distance) P-C4' energy: -84.385 flat angles C4'-P-C4' energy: -99.996 flat angles P-C4'-P energy: -65.889 tors. eta vs tors. theta energy: -115.968 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: 2, replica: 10 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1434.705506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.705506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.705506 (E_RNA) where: Base-Base interactions energy: -1002.510 where: short stacking energy: -410.499 Base-Backbone interact. energy: -2.537 local terms energy: -429.658411 where: bonds (distance) C4'-P energy: -80.107 bonds (distance) P-C4' energy: -78.563 flat angles C4'-P-C4' energy: -96.880 flat angles P-C4'-P energy: -53.456 tors. eta vs tors. theta energy: -120.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1336.127867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.127867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.127867 (E_RNA) where: Base-Base interactions energy: -939.226 where: short stacking energy: -379.942 Base-Backbone interact. energy: -2.610 local terms energy: -394.292080 where: bonds (distance) C4'-P energy: -82.545 bonds (distance) P-C4' energy: -85.120 flat angles C4'-P-C4' energy: -93.463 flat angles P-C4'-P energy: -44.276 tors. eta vs tors. theta energy: -88.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1241.249685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.249685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.249685 (E_RNA) where: Base-Base interactions energy: -825.829 where: short stacking energy: -364.035 Base-Backbone interact. energy: -1.232 local terms energy: -414.188419 where: bonds (distance) C4'-P energy: -84.258 bonds (distance) P-C4' energy: -85.016 flat angles C4'-P-C4' energy: -89.813 flat angles P-C4'-P energy: -56.469 tors. eta vs tors. theta energy: -98.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1175.813364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.813364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.813364 (E_RNA) where: Base-Base interactions energy: -817.784 where: short stacking energy: -358.282 Base-Backbone interact. energy: -0.278 local terms energy: -357.751387 where: bonds (distance) C4'-P energy: -64.511 bonds (distance) P-C4' energy: -62.983 flat angles C4'-P-C4' energy: -82.174 flat angles P-C4'-P energy: -56.166 tors. eta vs tors. theta energy: -91.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1073.631533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.631533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.631533 (E_RNA) where: Base-Base interactions energy: -745.178 where: short stacking energy: -312.298 Base-Backbone interact. energy: -0.269 local terms energy: -328.184070 where: bonds (distance) C4'-P energy: -66.666 bonds (distance) P-C4' energy: -68.902 flat angles C4'-P-C4' energy: -74.631 flat angles P-C4'-P energy: -55.711 tors. eta vs tors. theta energy: -62.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1109.471506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.471506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.471506 (E_RNA) where: Base-Base interactions energy: -743.719 where: short stacking energy: -336.759 Base-Backbone interact. energy: 0.188 local terms energy: -365.940773 where: bonds (distance) C4'-P energy: -63.274 bonds (distance) P-C4' energy: -76.464 flat angles C4'-P-C4' energy: -88.818 flat angles P-C4'-P energy: -57.574 tors. eta vs tors. theta energy: -79.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -935.776694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.776694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.776694 (E_RNA) where: Base-Base interactions energy: -616.182 where: short stacking energy: -266.029 Base-Backbone interact. energy: 1.856 local terms energy: -321.450880 where: bonds (distance) C4'-P energy: -81.637 bonds (distance) P-C4' energy: -71.562 flat angles C4'-P-C4' energy: -71.316 flat angles P-C4'-P energy: -55.964 tors. eta vs tors. theta energy: -40.972 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: 5 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -783.555168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.555168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.555168 (E_RNA) where: Base-Base interactions energy: -493.550 where: short stacking energy: -213.645 Base-Backbone interact. energy: -1.074 local terms energy: -288.930757 where: bonds (distance) C4'-P energy: -72.957 bonds (distance) P-C4' energy: -65.857 flat angles C4'-P-C4' energy: -67.021 flat angles P-C4'-P energy: -47.753 tors. eta vs tors. theta energy: -35.343 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: 4 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -476.474938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.474938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.474938 (E_RNA) where: Base-Base interactions energy: -217.010 where: short stacking energy: -139.200 Base-Backbone interact. energy: 1.487 local terms energy: -260.951740 where: bonds (distance) C4'-P energy: -61.230 bonds (distance) P-C4' energy: -88.328 flat angles C4'-P-C4' energy: -50.932 flat angles P-C4'-P energy: -43.916 tors. eta vs tors. theta energy: -16.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1488.419400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.419400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.419400 (E_RNA) where: Base-Base interactions energy: -1041.540 where: short stacking energy: -419.552 Base-Backbone interact. energy: -1.307 local terms energy: -445.572294 where: bonds (distance) C4'-P energy: -86.360 bonds (distance) P-C4' energy: -90.513 flat angles C4'-P-C4' energy: -96.628 flat angles P-C4'-P energy: -57.791 tors. eta vs tors. theta energy: -114.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1486.380619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.380619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.380619 (E_RNA) where: Base-Base interactions energy: -1061.039 where: short stacking energy: -467.626 Base-Backbone interact. energy: -1.356 local terms energy: -423.985790 where: bonds (distance) C4'-P energy: -82.377 bonds (distance) P-C4' energy: -73.495 flat angles C4'-P-C4' energy: -88.729 flat angles P-C4'-P energy: -51.026 tors. eta vs tors. theta energy: -128.359 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: 1 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1351.443440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.443440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.443440 (E_RNA) where: Base-Base interactions energy: -969.147 where: short stacking energy: -391.561 Base-Backbone interact. energy: -0.531 local terms energy: -381.765897 where: bonds (distance) C4'-P energy: -63.637 bonds (distance) P-C4' energy: -70.329 flat angles C4'-P-C4' energy: -83.970 flat angles P-C4'-P energy: -66.361 tors. eta vs tors. theta energy: -97.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1260.411617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.411617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.411617 (E_RNA) where: Base-Base interactions energy: -869.212 where: short stacking energy: -402.977 Base-Backbone interact. energy: -0.644 local terms energy: -390.555934 where: bonds (distance) C4'-P energy: -69.884 bonds (distance) P-C4' energy: -74.143 flat angles C4'-P-C4' energy: -86.050 flat angles P-C4'-P energy: -52.532 tors. eta vs tors. theta energy: -107.947 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: 8 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1205.659640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.659640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.659640 (E_RNA) where: Base-Base interactions energy: -835.515 where: short stacking energy: -374.359 Base-Backbone interact. energy: 0.750 local terms energy: -370.895185 where: bonds (distance) C4'-P energy: -66.076 bonds (distance) P-C4' energy: -66.406 flat angles C4'-P-C4' energy: -85.248 flat angles P-C4'-P energy: -60.959 tors. eta vs tors. theta energy: -92.207 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: 111 Temperature: 1.150000 Total energy: -1142.163913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.163913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.163913 (E_RNA) where: Base-Base interactions energy: -774.037 where: short stacking energy: -345.162 Base-Backbone interact. energy: -0.119 local terms energy: -368.008176 where: bonds (distance) C4'-P energy: -75.950 bonds (distance) P-C4' energy: -77.406 flat angles C4'-P-C4' energy: -84.738 flat angles P-C4'-P energy: -48.797 tors. eta vs tors. theta energy: -81.117 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: 3 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1063.465918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.465918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.465918 (E_RNA) where: Base-Base interactions energy: -717.916 where: short stacking energy: -314.700 Base-Backbone interact. energy: -1.467 local terms energy: -344.082603 where: bonds (distance) C4'-P energy: -69.773 bonds (distance) P-C4' energy: -81.459 flat angles C4'-P-C4' energy: -69.994 flat angles P-C4'-P energy: -52.221 tors. eta vs tors. theta energy: -70.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -849.437827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.437827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.437827 (E_RNA) where: Base-Base interactions energy: -530.541 where: short stacking energy: -241.071 Base-Backbone interact. energy: -0.089 local terms energy: -318.807088 where: bonds (distance) C4'-P energy: -90.317 bonds (distance) P-C4' energy: -80.117 flat angles C4'-P-C4' energy: -76.960 flat angles P-C4'-P energy: -35.426 tors. eta vs tors. theta energy: -35.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -788.805359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.805359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.805359 (E_RNA) where: Base-Base interactions energy: -521.949 where: short stacking energy: -231.973 Base-Backbone interact. energy: -1.611 local terms energy: -265.245149 where: bonds (distance) C4'-P energy: -66.857 bonds (distance) P-C4' energy: -73.942 flat angles C4'-P-C4' energy: -54.513 flat angles P-C4'-P energy: -38.330 tors. eta vs tors. theta energy: -31.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -439.124566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.124566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.124566 (E_RNA) where: Base-Base interactions energy: -209.757 where: short stacking energy: -117.626 Base-Backbone interact. energy: 2.052 local terms energy: -231.420231 where: bonds (distance) C4'-P energy: -58.839 bonds (distance) P-C4' energy: -79.965 flat angles C4'-P-C4' energy: -69.460 flat angles P-C4'-P energy: -35.942 tors. eta vs tors. theta energy: 12.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1529.679125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.679125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.679125 (E_RNA) where: Base-Base interactions energy: -1093.937 where: short stacking energy: -456.018 Base-Backbone interact. energy: -1.370 local terms energy: -434.372454 where: bonds (distance) C4'-P energy: -82.830 bonds (distance) P-C4' energy: -85.957 flat angles C4'-P-C4' energy: -94.021 flat angles P-C4'-P energy: -46.883 tors. eta vs tors. theta energy: -124.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1445.050357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.050357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.050357 (E_RNA) where: Base-Base interactions energy: -1016.021 where: short stacking energy: -421.048 Base-Backbone interact. energy: -1.645 local terms energy: -427.384339 where: bonds (distance) C4'-P energy: -75.489 bonds (distance) P-C4' energy: -82.281 flat angles C4'-P-C4' energy: -94.005 flat angles P-C4'-P energy: -55.765 tors. eta vs tors. theta energy: -119.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1329.831505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.831505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.831505 (E_RNA) where: Base-Base interactions energy: -920.386 where: short stacking energy: -403.258 Base-Backbone interact. energy: -2.805 local terms energy: -406.640285 where: bonds (distance) C4'-P energy: -79.866 bonds (distance) P-C4' energy: -83.793 flat angles C4'-P-C4' energy: -85.469 flat angles P-C4'-P energy: -60.054 tors. eta vs tors. theta energy: -97.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1225.132087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.132087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.132087 (E_RNA) where: Base-Base interactions energy: -823.532 where: short stacking energy: -350.767 Base-Backbone interact. energy: -3.460 local terms energy: -398.140436 where: bonds (distance) C4'-P energy: -76.300 bonds (distance) P-C4' energy: -83.912 flat angles C4'-P-C4' energy: -80.323 flat angles P-C4'-P energy: -57.045 tors. eta vs tors. theta energy: -100.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1178.773155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.773155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.773155 (E_RNA) where: Base-Base interactions energy: -797.645 where: short stacking energy: -363.188 Base-Backbone interact. energy: 2.086 local terms energy: -383.213874 where: bonds (distance) C4'-P energy: -76.206 bonds (distance) P-C4' energy: -78.393 flat angles C4'-P-C4' energy: -75.312 flat angles P-C4'-P energy: -58.394 tors. eta vs tors. theta energy: -94.909 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: 2 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1218.452923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.452923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.452923 (E_RNA) where: Base-Base interactions energy: -821.263 where: short stacking energy: -368.913 Base-Backbone interact. energy: 0.866 local terms energy: -398.055496 where: bonds (distance) C4'-P energy: -66.840 bonds (distance) P-C4' energy: -84.272 flat angles C4'-P-C4' energy: -85.686 flat angles P-C4'-P energy: -57.828 tors. eta vs tors. theta energy: -103.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1045.128266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.128266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.128266 (E_RNA) where: Base-Base interactions energy: -724.812 where: short stacking energy: -317.161 Base-Backbone interact. energy: 0.045 local terms energy: -320.362105 where: bonds (distance) C4'-P energy: -56.564 bonds (distance) P-C4' energy: -74.492 flat angles C4'-P-C4' energy: -80.343 flat angles P-C4'-P energy: -35.958 tors. eta vs tors. theta energy: -73.004 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: 9 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -916.155997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.155997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.155997 (E_RNA) where: Base-Base interactions energy: -600.979 where: short stacking energy: -279.227 Base-Backbone interact. energy: -2.287 local terms energy: -312.890138 where: bonds (distance) C4'-P energy: -59.041 bonds (distance) P-C4' energy: -65.432 flat angles C4'-P-C4' energy: -87.761 flat angles P-C4'-P energy: -39.153 tors. eta vs tors. theta energy: -61.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -806.886617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.886617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.886617 (E_RNA) where: Base-Base interactions energy: -535.465 where: short stacking energy: -252.204 Base-Backbone interact. energy: 2.686 local terms energy: -274.107899 where: bonds (distance) C4'-P energy: -64.985 bonds (distance) P-C4' energy: -78.015 flat angles C4'-P-C4' energy: -40.536 flat angles P-C4'-P energy: -56.304 tors. eta vs tors. theta energy: -34.268 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: 4 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -493.558505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.558505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.558505 (E_RNA) where: Base-Base interactions energy: -268.782 where: short stacking energy: -138.123 Base-Backbone interact. energy: 2.087 local terms energy: -226.864235 where: bonds (distance) C4'-P energy: -70.851 bonds (distance) P-C4' energy: -64.120 flat angles C4'-P-C4' energy: -50.455 flat angles P-C4'-P energy: -33.762 tors. eta vs tors. theta energy: -7.677 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: 10 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1496.395581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.395581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.395581 (E_RNA) where: Base-Base interactions energy: -1048.408 where: short stacking energy: -455.506 Base-Backbone interact. energy: -0.162 local terms energy: -447.826054 where: bonds (distance) C4'-P energy: -86.328 bonds (distance) P-C4' energy: -82.131 flat angles C4'-P-C4' energy: -94.684 flat angles P-C4'-P energy: -58.152 tors. eta vs tors. theta energy: -126.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1455.971208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.971208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.971208 (E_RNA) where: Base-Base interactions energy: -1014.953 where: short stacking energy: -400.787 Base-Backbone interact. energy: 1.031 local terms energy: -442.049843 where: bonds (distance) C4'-P energy: -83.074 bonds (distance) P-C4' energy: -87.594 flat angles C4'-P-C4' energy: -87.572 flat angles P-C4'-P energy: -66.393 tors. eta vs tors. theta energy: -117.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1325.676813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.676813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.676813 (E_RNA) where: Base-Base interactions energy: -917.892 where: short stacking energy: -389.104 Base-Backbone interact. energy: -2.360 local terms energy: -405.424688 where: bonds (distance) C4'-P energy: -80.606 bonds (distance) P-C4' energy: -75.725 flat angles C4'-P-C4' energy: -97.360 flat angles P-C4'-P energy: -57.028 tors. eta vs tors. theta energy: -94.705 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: 7 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1270.784098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.784098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.784098 (E_RNA) where: Base-Base interactions energy: -850.486 where: short stacking energy: -390.500 Base-Backbone interact. energy: 2.120 local terms energy: -422.417421 where: bonds (distance) C4'-P energy: -87.426 bonds (distance) P-C4' energy: -71.011 flat angles C4'-P-C4' energy: -96.296 flat angles P-C4'-P energy: -58.542 tors. eta vs tors. theta energy: -109.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1235.107214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.107214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.107214 (E_RNA) where: Base-Base interactions energy: -834.698 where: short stacking energy: -378.904 Base-Backbone interact. energy: -0.337 local terms energy: -400.072491 where: bonds (distance) C4'-P energy: -74.109 bonds (distance) P-C4' energy: -84.951 flat angles C4'-P-C4' energy: -81.175 flat angles P-C4'-P energy: -54.103 tors. eta vs tors. theta energy: -105.733 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: 2 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1232.082329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.082329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.082329 (E_RNA) where: Base-Base interactions energy: -841.329 where: short stacking energy: -375.073 Base-Backbone interact. energy: -1.324 local terms energy: -389.428571 where: bonds (distance) C4'-P energy: -60.494 bonds (distance) P-C4' energy: -79.517 flat angles C4'-P-C4' energy: -91.583 flat angles P-C4'-P energy: -51.887 tors. eta vs tors. theta energy: -105.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1064.058338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.058338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.058338 (E_RNA) where: Base-Base interactions energy: -718.254 where: short stacking energy: -301.612 Base-Backbone interact. energy: -2.502 local terms energy: -343.302241 where: bonds (distance) C4'-P energy: -69.822 bonds (distance) P-C4' energy: -71.176 flat angles C4'-P-C4' energy: -77.466 flat angles P-C4'-P energy: -57.735 tors. eta vs tors. theta energy: -67.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -903.058771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.058771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.058771 (E_RNA) where: Base-Base interactions energy: -573.058 where: short stacking energy: -259.827 Base-Backbone interact. energy: 1.811 local terms energy: -331.811899 where: bonds (distance) C4'-P energy: -76.969 bonds (distance) P-C4' energy: -75.822 flat angles C4'-P-C4' energy: -75.424 flat angles P-C4'-P energy: -40.760 tors. eta vs tors. theta energy: -62.838 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: 5 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -782.354990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.354990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.354990 (E_RNA) where: Base-Base interactions energy: -512.910 where: short stacking energy: -242.384 Base-Backbone interact. energy: 7.193 local terms energy: -276.638388 where: bonds (distance) C4'-P energy: -56.798 bonds (distance) P-C4' energy: -75.712 flat angles C4'-P-C4' energy: -65.374 flat angles P-C4'-P energy: -45.718 tors. eta vs tors. theta energy: -33.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -421.880770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.880770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.880770 (E_RNA) where: Base-Base interactions energy: -202.825 where: short stacking energy: -129.012 Base-Backbone interact. energy: 2.892 local terms energy: -221.947599 where: bonds (distance) C4'-P energy: -75.544 bonds (distance) P-C4' energy: -62.725 flat angles C4'-P-C4' energy: -57.393 flat angles P-C4'-P energy: -21.777 tors. eta vs tors. theta energy: -4.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1466.379309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.379309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.379309 (E_RNA) where: Base-Base interactions energy: -1028.419 where: short stacking energy: -412.563 Base-Backbone interact. energy: -1.280 local terms energy: -436.680341 where: bonds (distance) C4'-P energy: -78.354 bonds (distance) P-C4' energy: -88.720 flat angles C4'-P-C4' energy: -94.320 flat angles P-C4'-P energy: -66.529 tors. eta vs tors. theta energy: -108.758 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: 114 Temperature: 0.950000 Total energy: -1480.865483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.865483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.865483 (E_RNA) where: Base-Base interactions energy: -1029.657 where: short stacking energy: -426.940 Base-Backbone interact. energy: 4.717 local terms energy: -455.924848 where: bonds (distance) C4'-P energy: -87.148 bonds (distance) P-C4' energy: -89.790 flat angles C4'-P-C4' energy: -85.865 flat angles P-C4'-P energy: -61.320 tors. eta vs tors. theta energy: -131.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1400.996196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.996196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.996196 (E_RNA) where: Base-Base interactions energy: -974.161 where: short stacking energy: -411.060 Base-Backbone interact. energy: -4.382 local terms energy: -422.453168 where: bonds (distance) C4'-P energy: -91.800 bonds (distance) P-C4' energy: -72.439 flat angles C4'-P-C4' energy: -94.061 flat angles P-C4'-P energy: -54.249 tors. eta vs tors. theta energy: -109.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1277.918779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.918779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.918779 (E_RNA) where: Base-Base interactions energy: -857.641 where: short stacking energy: -411.769 Base-Backbone interact. energy: -1.360 local terms energy: -418.917335 where: bonds (distance) C4'-P energy: -72.625 bonds (distance) P-C4' energy: -83.502 flat angles C4'-P-C4' energy: -97.936 flat angles P-C4'-P energy: -53.509 tors. eta vs tors. theta energy: -111.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1207.796783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.796783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.796783 (E_RNA) where: Base-Base interactions energy: -825.271 where: short stacking energy: -384.226 Base-Backbone interact. energy: 2.076 local terms energy: -384.601628 where: bonds (distance) C4'-P energy: -62.802 bonds (distance) P-C4' energy: -77.377 flat angles C4'-P-C4' energy: -86.990 flat angles P-C4'-P energy: -55.204 tors. eta vs tors. theta energy: -102.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1191.711848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.711848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.711848 (E_RNA) where: Base-Base interactions energy: -802.935 where: short stacking energy: -356.327 Base-Backbone interact. energy: -1.446 local terms energy: -387.331162 where: bonds (distance) C4'-P energy: -69.289 bonds (distance) P-C4' energy: -86.829 flat angles C4'-P-C4' energy: -85.563 flat angles P-C4'-P energy: -46.985 tors. eta vs tors. theta energy: -98.665 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: 114 Temperature: 1.200000 Total energy: -1022.756296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.756296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.756296 (E_RNA) where: Base-Base interactions energy: -686.700 where: short stacking energy: -302.064 Base-Backbone interact. energy: 1.069 local terms energy: -337.125457 where: bonds (distance) C4'-P energy: -71.693 bonds (distance) P-C4' energy: -77.217 flat angles C4'-P-C4' energy: -72.355 flat angles P-C4'-P energy: -50.705 tors. eta vs tors. theta energy: -65.155 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: 9 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -834.067235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.067235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.067235 (E_RNA) where: Base-Base interactions energy: -525.924 where: short stacking energy: -257.845 Base-Backbone interact. energy: -1.173 local terms energy: -306.970429 where: bonds (distance) C4'-P energy: -68.733 bonds (distance) P-C4' energy: -79.306 flat angles C4'-P-C4' energy: -77.025 flat angles P-C4'-P energy: -41.025 tors. eta vs tors. theta energy: -40.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -773.043653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.043653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.043653 (E_RNA) where: Base-Base interactions energy: -482.135 where: short stacking energy: -229.558 Base-Backbone interact. energy: -0.856 local terms energy: -290.052566 where: bonds (distance) C4'-P energy: -75.140 bonds (distance) P-C4' energy: -74.365 flat angles C4'-P-C4' energy: -55.443 flat angles P-C4'-P energy: -43.287 tors. eta vs tors. theta energy: -41.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -413.015180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.015180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.015180 (E_RNA) where: Base-Base interactions energy: -184.703 where: short stacking energy: -125.171 Base-Backbone interact. energy: 2.287 local terms energy: -230.599916 where: bonds (distance) C4'-P energy: -64.846 bonds (distance) P-C4' energy: -73.408 flat angles C4'-P-C4' energy: -71.956 flat angles P-C4'-P energy: -29.047 tors. eta vs tors. theta energy: 8.657 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: 6 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1473.331778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.331778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.331778 (E_RNA) where: Base-Base interactions energy: -1031.994 where: short stacking energy: -423.772 Base-Backbone interact. energy: 0.781 local terms energy: -442.118204 where: bonds (distance) C4'-P energy: -77.488 bonds (distance) P-C4' energy: -87.687 flat angles C4'-P-C4' energy: -98.596 flat angles P-C4'-P energy: -64.030 tors. eta vs tors. theta energy: -114.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1471.327371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.327371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.327371 (E_RNA) where: Base-Base interactions energy: -1034.448 where: short stacking energy: -444.318 Base-Backbone interact. energy: -1.120 local terms energy: -435.759549 where: bonds (distance) C4'-P energy: -84.805 bonds (distance) P-C4' energy: -80.383 flat angles C4'-P-C4' energy: -91.372 flat angles P-C4'-P energy: -52.710 tors. eta vs tors. theta energy: -126.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1374.015322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.015322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.015322 (E_RNA) where: Base-Base interactions energy: -945.319 where: short stacking energy: -392.725 Base-Backbone interact. energy: -4.314 local terms energy: -424.382399 where: bonds (distance) C4'-P energy: -77.144 bonds (distance) P-C4' energy: -86.817 flat angles C4'-P-C4' energy: -88.212 flat angles P-C4'-P energy: -69.630 tors. eta vs tors. theta energy: -102.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1282.818113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.818113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.818113 (E_RNA) where: Base-Base interactions energy: -856.512 where: short stacking energy: -392.319 Base-Backbone interact. energy: -1.466 local terms energy: -424.840447 where: bonds (distance) C4'-P energy: -87.209 bonds (distance) P-C4' energy: -69.828 flat angles C4'-P-C4' energy: -89.461 flat angles P-C4'-P energy: -65.746 tors. eta vs tors. theta energy: -112.596 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: 8 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -1183.649692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.649692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.649692 (E_RNA) where: Base-Base interactions energy: -799.849 where: short stacking energy: -340.474 Base-Backbone interact. energy: -0.950 local terms energy: -382.851087 where: bonds (distance) C4'-P energy: -70.206 bonds (distance) P-C4' energy: -81.613 flat angles C4'-P-C4' energy: -81.875 flat angles P-C4'-P energy: -55.283 tors. eta vs tors. theta energy: -93.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1209.226902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.226902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.226902 (E_RNA) where: Base-Base interactions energy: -829.287 where: short stacking energy: -361.194 Base-Backbone interact. energy: 0.134 local terms energy: -380.073995 where: bonds (distance) C4'-P energy: -73.109 bonds (distance) P-C4' energy: -85.138 flat angles C4'-P-C4' energy: -73.896 flat angles P-C4'-P energy: -49.135 tors. eta vs tors. theta energy: -98.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1061.926715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.926715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.926715 (E_RNA) where: Base-Base interactions energy: -754.823 where: short stacking energy: -324.637 Base-Backbone interact. energy: -1.069 local terms energy: -306.034061 where: bonds (distance) C4'-P energy: -57.668 bonds (distance) P-C4' energy: -71.562 flat angles C4'-P-C4' energy: -74.696 flat angles P-C4'-P energy: -35.706 tors. eta vs tors. theta energy: -66.402 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: 115 Temperature: 1.250000 Total energy: -838.737306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.737306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.737306 (E_RNA) where: Base-Base interactions energy: -519.915 where: short stacking energy: -227.254 Base-Backbone interact. energy: -2.308 local terms energy: -316.514130 where: bonds (distance) C4'-P energy: -86.098 bonds (distance) P-C4' energy: -73.775 flat angles C4'-P-C4' energy: -79.690 flat angles P-C4'-P energy: -45.317 tors. eta vs tors. theta energy: -31.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -783.973181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.973181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.973181 (E_RNA) where: Base-Base interactions energy: -488.923 where: short stacking energy: -233.391 Base-Backbone interact. energy: 3.721 local terms energy: -298.771136 where: bonds (distance) C4'-P energy: -63.847 bonds (distance) P-C4' energy: -70.632 flat angles C4'-P-C4' energy: -79.374 flat angles P-C4'-P energy: -40.420 tors. eta vs tors. theta energy: -44.498 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: 4 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -404.124857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.124857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.124857 (E_RNA) where: Base-Base interactions energy: -184.304 where: short stacking energy: -121.500 Base-Backbone interact. energy: -1.119 local terms energy: -218.702155 where: bonds (distance) C4'-P energy: -58.492 bonds (distance) P-C4' energy: -67.805 flat angles C4'-P-C4' energy: -73.509 flat angles P-C4'-P energy: -25.762 tors. eta vs tors. theta energy: 6.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1493.178112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.178112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.178112 (E_RNA) where: Base-Base interactions energy: -1024.578 where: short stacking energy: -453.858 Base-Backbone interact. energy: -2.196 local terms energy: -466.404202 where: bonds (distance) C4'-P energy: -81.003 bonds (distance) P-C4' energy: -84.257 flat angles C4'-P-C4' energy: -100.029 flat angles P-C4'-P energy: -65.362 tors. eta vs tors. theta energy: -135.752 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: 6 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1456.280075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.280075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.280075 (E_RNA) where: Base-Base interactions energy: -1009.389 where: short stacking energy: -395.036 Base-Backbone interact. energy: -2.451 local terms energy: -444.439674 where: bonds (distance) C4'-P energy: -76.863 bonds (distance) P-C4' energy: -88.417 flat angles C4'-P-C4' energy: -104.281 flat angles P-C4'-P energy: -59.219 tors. eta vs tors. theta energy: -115.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1343.354918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.354918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.354918 (E_RNA) where: Base-Base interactions energy: -949.044 where: short stacking energy: -401.971 Base-Backbone interact. energy: 1.737 local terms energy: -396.047815 where: bonds (distance) C4'-P energy: -68.703 bonds (distance) P-C4' energy: -78.945 flat angles C4'-P-C4' energy: -93.330 flat angles P-C4'-P energy: -54.924 tors. eta vs tors. theta energy: -100.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1301.848899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.848899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.848899 (E_RNA) where: Base-Base interactions energy: -882.756 where: short stacking energy: -417.504 Base-Backbone interact. energy: -4.215 local terms energy: -414.877548 where: bonds (distance) C4'-P energy: -85.540 bonds (distance) P-C4' energy: -63.543 flat angles C4'-P-C4' energy: -89.268 flat angles P-C4'-P energy: -54.236 tors. eta vs tors. theta energy: -122.290 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: 5, replica: 2 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1238.156290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.156290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.156290 (E_RNA) where: Base-Base interactions energy: -846.738 where: short stacking energy: -383.883 Base-Backbone interact. energy: -0.950 local terms energy: -390.468838 where: bonds (distance) C4'-P energy: -69.745 bonds (distance) P-C4' energy: -64.933 flat angles C4'-P-C4' energy: -95.491 flat angles P-C4'-P energy: -58.284 tors. eta vs tors. theta energy: -102.016 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: 8 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1143.273532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.273532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.273532 (E_RNA) where: Base-Base interactions energy: -769.530 where: short stacking energy: -344.096 Base-Backbone interact. energy: 1.540 local terms energy: -375.284143 where: bonds (distance) C4'-P energy: -70.792 bonds (distance) P-C4' energy: -70.400 flat angles C4'-P-C4' energy: -88.579 flat angles P-C4'-P energy: -52.571 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: 7, replica: 3 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1035.639627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.639627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.639627 (E_RNA) where: Base-Base interactions energy: -703.098 where: short stacking energy: -308.955 Base-Backbone interact. energy: -0.712 local terms energy: -331.829294 where: bonds (distance) C4'-P energy: -60.123 bonds (distance) P-C4' energy: -91.068 flat angles C4'-P-C4' energy: -71.352 flat angles P-C4'-P energy: -48.309 tors. eta vs tors. theta energy: -60.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -825.818460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.818460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.818460 (E_RNA) where: Base-Base interactions energy: -522.453 where: short stacking energy: -231.088 Base-Backbone interact. energy: -1.551 local terms energy: -301.814849 where: bonds (distance) C4'-P energy: -74.779 bonds (distance) P-C4' energy: -78.171 flat angles C4'-P-C4' energy: -67.701 flat angles P-C4'-P energy: -41.899 tors. eta vs tors. theta energy: -39.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -814.089319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.089319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.089319 (E_RNA) where: Base-Base interactions energy: -506.294 where: short stacking energy: -235.966 Base-Backbone interact. energy: 2.287 local terms energy: -310.082261 where: bonds (distance) C4'-P energy: -64.810 bonds (distance) P-C4' energy: -68.714 flat angles C4'-P-C4' energy: -85.737 flat angles P-C4'-P energy: -39.575 tors. eta vs tors. theta energy: -51.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -414.928300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.928300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.928300 (E_RNA) where: Base-Base interactions energy: -191.990 where: short stacking energy: -135.987 Base-Backbone interact. energy: -1.731 local terms energy: -221.207266 where: bonds (distance) C4'-P energy: -70.883 bonds (distance) P-C4' energy: -79.333 flat angles C4'-P-C4' energy: -51.280 flat angles P-C4'-P energy: -36.598 tors. eta vs tors. theta energy: 16.886 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: 10 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1487.817825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.817825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.817825 (E_RNA) where: Base-Base interactions energy: -1024.564 where: short stacking energy: -442.873 Base-Backbone interact. energy: 2.013 local terms energy: -465.267318 where: bonds (distance) C4'-P energy: -86.373 bonds (distance) P-C4' energy: -93.855 flat angles C4'-P-C4' energy: -90.942 flat angles P-C4'-P energy: -61.807 tors. eta vs tors. theta energy: -132.290 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: 117 Temperature: 0.950000 Total energy: -1400.901661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.901661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.901661 (E_RNA) where: Base-Base interactions energy: -977.247 where: short stacking energy: -408.793 Base-Backbone interact. energy: -1.607 local terms energy: -422.047625 where: bonds (distance) C4'-P energy: -86.159 bonds (distance) P-C4' energy: -83.091 flat angles C4'-P-C4' energy: -91.004 flat angles P-C4'-P energy: -66.985 tors. eta vs tors. theta energy: -94.809 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: 6 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1411.163524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.163524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.163524 (E_RNA) where: Base-Base interactions energy: -1005.961 where: short stacking energy: -423.691 Base-Backbone interact. energy: -1.033 local terms energy: -404.170100 where: bonds (distance) C4'-P energy: -64.590 bonds (distance) P-C4' energy: -88.514 flat angles C4'-P-C4' energy: -92.542 flat angles P-C4'-P energy: -48.752 tors. eta vs tors. theta energy: -109.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1292.081853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.081853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.081853 (E_RNA) where: Base-Base interactions energy: -881.727 where: short stacking energy: -411.591 Base-Backbone interact. energy: 1.841 local terms energy: -412.195214 where: bonds (distance) C4'-P energy: -76.610 bonds (distance) P-C4' energy: -70.006 flat angles C4'-P-C4' energy: -85.170 flat angles P-C4'-P energy: -68.583 tors. eta vs tors. theta energy: -111.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1268.992064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.992064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.992064 (E_RNA) where: Base-Base interactions energy: -852.807 where: short stacking energy: -403.805 Base-Backbone interact. energy: -1.905 local terms energy: -414.280137 where: bonds (distance) C4'-P energy: -79.026 bonds (distance) P-C4' energy: -82.338 flat angles C4'-P-C4' energy: -82.941 flat angles P-C4'-P energy: -60.218 tors. eta vs tors. theta energy: -109.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1206.461379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.461379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.461379 (E_RNA) where: Base-Base interactions energy: -823.751 where: short stacking energy: -368.944 Base-Backbone interact. energy: -1.008 local terms energy: -381.702359 where: bonds (distance) C4'-P energy: -68.580 bonds (distance) P-C4' energy: -82.750 flat angles C4'-P-C4' energy: -79.526 flat angles P-C4'-P energy: -42.697 tors. eta vs tors. theta energy: -108.148 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: 3 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -975.186162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.186162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.186162 (E_RNA) where: Base-Base interactions energy: -661.720 where: short stacking energy: -266.263 Base-Backbone interact. energy: 4.053 local terms energy: -317.519948 where: bonds (distance) C4'-P energy: -78.291 bonds (distance) P-C4' energy: -65.911 flat angles C4'-P-C4' energy: -73.857 flat angles P-C4'-P energy: -36.058 tors. eta vs tors. theta energy: -63.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -839.973998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.973998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.973998 (E_RNA) where: Base-Base interactions energy: -551.415 where: short stacking energy: -248.178 Base-Backbone interact. energy: -1.062 local terms energy: -287.497411 where: bonds (distance) C4'-P energy: -70.328 bonds (distance) P-C4' energy: -74.409 flat angles C4'-P-C4' energy: -63.268 flat angles P-C4'-P energy: -35.789 tors. eta vs tors. theta energy: -43.704 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: 9, replica: 5 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -719.468200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.468200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.468200 (E_RNA) where: Base-Base interactions energy: -433.834 where: short stacking energy: -171.236 Base-Backbone interact. energy: 0.887 local terms energy: -286.520875 where: bonds (distance) C4'-P energy: -60.755 bonds (distance) P-C4' energy: -60.884 flat angles C4'-P-C4' energy: -74.184 flat angles P-C4'-P energy: -54.167 tors. eta vs tors. theta energy: -36.531 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: 4 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -436.215454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.215454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.215454 (E_RNA) where: Base-Base interactions energy: -198.949 where: short stacking energy: -127.007 Base-Backbone interact. energy: 1.168 local terms energy: -238.435094 where: bonds (distance) C4'-P energy: -69.040 bonds (distance) P-C4' energy: -79.354 flat angles C4'-P-C4' energy: -47.053 flat angles P-C4'-P energy: -39.673 tors. eta vs tors. theta energy: -3.315 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: 10 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1506.888069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.888069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.888069 (E_RNA) where: Base-Base interactions energy: -1029.793 where: short stacking energy: -432.320 Base-Backbone interact. energy: -4.028 local terms energy: -473.066894 where: bonds (distance) C4'-P energy: -85.469 bonds (distance) P-C4' energy: -95.032 flat angles C4'-P-C4' energy: -97.306 flat angles P-C4'-P energy: -58.877 tors. eta vs tors. theta energy: -136.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1391.021928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.021928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.021928 (E_RNA) where: Base-Base interactions energy: -985.721 where: short stacking energy: -418.069 Base-Backbone interact. energy: -0.458 local terms energy: -404.843368 where: bonds (distance) C4'-P energy: -84.468 bonds (distance) P-C4' energy: -77.354 flat angles C4'-P-C4' energy: -90.510 flat angles P-C4'-P energy: -50.031 tors. eta vs tors. theta energy: -102.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1338.086867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.086867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.086867 (E_RNA) where: Base-Base interactions energy: -908.394 where: short stacking energy: -408.046 Base-Backbone interact. energy: -1.470 local terms energy: -428.222998 where: bonds (distance) C4'-P energy: -72.647 bonds (distance) P-C4' energy: -82.302 flat angles C4'-P-C4' energy: -91.231 flat angles P-C4'-P energy: -60.796 tors. eta vs tors. theta energy: -121.246 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: 6 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1355.148930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.148930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.148930 (E_RNA) where: Base-Base interactions energy: -928.422 where: short stacking energy: -397.312 Base-Backbone interact. energy: 1.851 local terms energy: -428.577647 where: bonds (distance) C4'-P energy: -79.590 bonds (distance) P-C4' energy: -84.650 flat angles C4'-P-C4' energy: -85.043 flat angles P-C4'-P energy: -61.229 tors. eta vs tors. theta energy: -118.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1241.974151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.974151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.974151 (E_RNA) where: Base-Base interactions energy: -873.122 where: short stacking energy: -401.974 Base-Backbone interact. energy: 0.819 local terms energy: -369.670957 where: bonds (distance) C4'-P energy: -60.701 bonds (distance) P-C4' energy: -83.438 flat angles C4'-P-C4' energy: -76.803 flat angles P-C4'-P energy: -49.603 tors. eta vs tors. theta energy: -99.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1180.113123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.113123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.113123 (E_RNA) where: Base-Base interactions energy: -795.171 where: short stacking energy: -344.786 Base-Backbone interact. energy: -1.092 local terms energy: -383.849753 where: bonds (distance) C4'-P energy: -68.244 bonds (distance) P-C4' energy: -80.734 flat angles C4'-P-C4' energy: -83.051 flat angles P-C4'-P energy: -62.867 tors. eta vs tors. theta energy: -88.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -968.404697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.404697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.404697 (E_RNA) where: Base-Base interactions energy: -665.708 where: short stacking energy: -296.801 Base-Backbone interact. energy: -3.628 local terms energy: -299.068879 where: bonds (distance) C4'-P energy: -58.836 bonds (distance) P-C4' energy: -60.872 flat angles C4'-P-C4' energy: -79.175 flat angles P-C4'-P energy: -51.543 tors. eta vs tors. theta energy: -48.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -813.051352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.051352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.051352 (E_RNA) where: Base-Base interactions energy: -541.831 where: short stacking energy: -251.473 Base-Backbone interact. energy: -1.529 local terms energy: -269.691249 where: bonds (distance) C4'-P energy: -57.899 bonds (distance) P-C4' energy: -55.456 flat angles C4'-P-C4' energy: -60.130 flat angles P-C4'-P energy: -42.368 tors. eta vs tors. theta energy: -53.838 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: 5 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -706.715292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.715292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.715292 (E_RNA) where: Base-Base interactions energy: -426.423 where: short stacking energy: -201.930 Base-Backbone interact. energy: -0.749 local terms energy: -279.542825 where: bonds (distance) C4'-P energy: -69.195 bonds (distance) P-C4' energy: -88.152 flat angles C4'-P-C4' energy: -50.411 flat angles P-C4'-P energy: -47.956 tors. eta vs tors. theta energy: -23.829 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: 4 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -431.230329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.230329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.230329 (E_RNA) where: Base-Base interactions energy: -191.358 where: short stacking energy: -133.866 Base-Backbone interact. energy: -0.030 local terms energy: -239.842742 where: bonds (distance) C4'-P energy: -71.867 bonds (distance) P-C4' energy: -57.937 flat angles C4'-P-C4' energy: -70.195 flat angles P-C4'-P energy: -50.721 tors. eta vs tors. theta energy: 10.877 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: 10 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1518.169160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.169160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.169160 (E_RNA) where: Base-Base interactions energy: -1062.063 where: short stacking energy: -453.871 Base-Backbone interact. energy: -0.478 local terms energy: -455.628292 where: bonds (distance) C4'-P energy: -87.073 bonds (distance) P-C4' energy: -75.871 flat angles C4'-P-C4' energy: -97.585 flat angles P-C4'-P energy: -58.762 tors. eta vs tors. theta energy: -136.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1398.912498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.912498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.912498 (E_RNA) where: Base-Base interactions energy: -978.506 where: short stacking energy: -411.948 Base-Backbone interact. energy: -2.003 local terms energy: -418.402869 where: bonds (distance) C4'-P energy: -74.737 bonds (distance) P-C4' energy: -82.452 flat angles C4'-P-C4' energy: -97.232 flat angles P-C4'-P energy: -51.694 tors. eta vs tors. theta energy: -112.287 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: 3, replica: 7 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1336.016591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.016591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.016591 (E_RNA) where: Base-Base interactions energy: -917.312 where: short stacking energy: -414.192 Base-Backbone interact. energy: -2.775 local terms energy: -415.929007 where: bonds (distance) C4'-P energy: -81.832 bonds (distance) P-C4' energy: -80.118 flat angles C4'-P-C4' energy: -84.231 flat angles P-C4'-P energy: -57.658 tors. eta vs tors. theta energy: -112.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1347.110842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.110842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.110842 (E_RNA) where: Base-Base interactions energy: -930.515 where: short stacking energy: -378.687 Base-Backbone interact. energy: 1.957 local terms energy: -418.552765 where: bonds (distance) C4'-P energy: -73.799 bonds (distance) P-C4' energy: -80.638 flat angles C4'-P-C4' energy: -93.212 flat angles P-C4'-P energy: -62.697 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: 5, replica: 2 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1244.487098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.487098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.487098 (E_RNA) where: Base-Base interactions energy: -844.642 where: short stacking energy: -391.006 Base-Backbone interact. energy: -2.136 local terms energy: -397.709413 where: bonds (distance) C4'-P energy: -68.107 bonds (distance) P-C4' energy: -73.722 flat angles C4'-P-C4' energy: -89.338 flat angles P-C4'-P energy: -62.378 tors. eta vs tors. theta energy: -104.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1210.540305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.540305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.540305 (E_RNA) where: Base-Base interactions energy: -836.828 where: short stacking energy: -384.983 Base-Backbone interact. energy: -2.985 local terms energy: -370.726508 where: bonds (distance) C4'-P energy: -65.048 bonds (distance) P-C4' energy: -67.766 flat angles C4'-P-C4' energy: -78.495 flat angles P-C4'-P energy: -58.943 tors. eta vs tors. theta energy: -100.474 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: 3 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -919.543584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.543584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.543584 (E_RNA) where: Base-Base interactions energy: -577.336 where: short stacking energy: -254.671 Base-Backbone interact. energy: 0.351 local terms energy: -342.558219 where: bonds (distance) C4'-P energy: -70.047 bonds (distance) P-C4' energy: -85.490 flat angles C4'-P-C4' energy: -85.594 flat angles P-C4'-P energy: -49.233 tors. eta vs tors. theta energy: -52.193 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: 8, replica: 9 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -867.760078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.760078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.760078 (E_RNA) where: Base-Base interactions energy: -535.801 where: short stacking energy: -248.785 Base-Backbone interact. energy: -0.747 local terms energy: -331.211594 where: bonds (distance) C4'-P energy: -67.231 bonds (distance) P-C4' energy: -69.310 flat angles C4'-P-C4' energy: -85.249 flat angles P-C4'-P energy: -52.006 tors. eta vs tors. theta energy: -57.416 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: 5 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -674.496019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.496019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.496019 (E_RNA) where: Base-Base interactions energy: -411.644 where: short stacking energy: -199.394 Base-Backbone interact. energy: 1.469 local terms energy: -264.320511 where: bonds (distance) C4'-P energy: -65.961 bonds (distance) P-C4' energy: -70.465 flat angles C4'-P-C4' energy: -57.988 flat angles P-C4'-P energy: -42.914 tors. eta vs tors. theta energy: -26.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -423.494400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.494400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.494400 (E_RNA) where: Base-Base interactions energy: -186.854 where: short stacking energy: -108.219 Base-Backbone interact. energy: -0.408 local terms energy: -236.232666 where: bonds (distance) C4'-P energy: -67.820 bonds (distance) P-C4' energy: -80.462 flat angles C4'-P-C4' energy: -57.136 flat angles P-C4'-P energy: -35.085 tors. eta vs tors. theta energy: 4.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1522.040651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.040651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.040651 (E_RNA) where: Base-Base interactions energy: -1042.862 where: short stacking energy: -448.955 Base-Backbone interact. energy: -1.601 local terms energy: -477.577583 where: bonds (distance) C4'-P energy: -97.324 bonds (distance) P-C4' energy: -85.212 flat angles C4'-P-C4' energy: -100.254 flat angles P-C4'-P energy: -60.220 tors. eta vs tors. theta energy: -134.567 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: 1 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1410.877023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.877023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.877023 (E_RNA) where: Base-Base interactions energy: -980.381 where: short stacking energy: -410.631 Base-Backbone interact. energy: -0.298 local terms energy: -430.197634 where: bonds (distance) C4'-P energy: -83.158 bonds (distance) P-C4' energy: -84.954 flat angles C4'-P-C4' energy: -95.108 flat angles P-C4'-P energy: -63.995 tors. eta vs tors. theta energy: -102.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1349.174104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.174104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.174104 (E_RNA) where: Base-Base interactions energy: -925.002 where: short stacking energy: -419.154 Base-Backbone interact. energy: -1.210 local terms energy: -422.962236 where: bonds (distance) C4'-P energy: -73.357 bonds (distance) P-C4' energy: -87.180 flat angles C4'-P-C4' energy: -88.873 flat angles P-C4'-P energy: -62.693 tors. eta vs tors. theta energy: -110.858 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: 6 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1324.628708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.628708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.628708 (E_RNA) where: Base-Base interactions energy: -916.149 where: short stacking energy: -392.998 Base-Backbone interact. energy: -2.341 local terms energy: -406.138966 where: bonds (distance) C4'-P energy: -69.245 bonds (distance) P-C4' energy: -78.855 flat angles C4'-P-C4' energy: -96.121 flat angles P-C4'-P energy: -55.748 tors. eta vs tors. theta energy: -106.170 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: 2 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1279.796603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.796603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.796603 (E_RNA) where: Base-Base interactions energy: -894.676 where: short stacking energy: -360.273 Base-Backbone interact. energy: -0.470 local terms energy: -384.650479 where: bonds (distance) C4'-P energy: -82.544 bonds (distance) P-C4' energy: -80.815 flat angles C4'-P-C4' energy: -85.274 flat angles P-C4'-P energy: -44.581 tors. eta vs tors. theta energy: -91.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1188.344636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.344636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.344636 (E_RNA) where: Base-Base interactions energy: -781.343 where: short stacking energy: -378.105 Base-Backbone interact. energy: -2.523 local terms energy: -404.478137 where: bonds (distance) C4'-P energy: -70.466 bonds (distance) P-C4' energy: -71.941 flat angles C4'-P-C4' energy: -93.954 flat angles P-C4'-P energy: -61.148 tors. eta vs tors. theta energy: -106.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -892.328382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.328382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.328382 (E_RNA) where: Base-Base interactions energy: -560.426 where: short stacking energy: -294.291 Base-Backbone interact. energy: -1.268 local terms energy: -330.634657 where: bonds (distance) C4'-P energy: -77.628 bonds (distance) P-C4' energy: -82.258 flat angles C4'-P-C4' energy: -63.266 flat angles P-C4'-P energy: -42.787 tors. eta vs tors. theta energy: -64.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -889.525791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.525791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.525791 (E_RNA) where: Base-Base interactions energy: -573.887 where: short stacking energy: -243.335 Base-Backbone interact. energy: -4.513 local terms energy: -311.125871 where: bonds (distance) C4'-P energy: -69.853 bonds (distance) P-C4' energy: -69.246 flat angles C4'-P-C4' energy: -89.561 flat angles P-C4'-P energy: -37.648 tors. eta vs tors. theta energy: -44.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -675.644493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.644493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.644493 (E_RNA) where: Base-Base interactions energy: -388.371 where: short stacking energy: -213.910 Base-Backbone interact. energy: 0.616 local terms energy: -287.889696 where: bonds (distance) C4'-P energy: -62.415 bonds (distance) P-C4' energy: -75.013 flat angles C4'-P-C4' energy: -66.468 flat angles P-C4'-P energy: -41.589 tors. eta vs tors. theta energy: -42.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -488.159414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.159414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.159414 (E_RNA) where: Base-Base interactions energy: -254.614 where: short stacking energy: -130.498 Base-Backbone interact. energy: -0.337 local terms energy: -233.208972 where: bonds (distance) C4'-P energy: -66.932 bonds (distance) P-C4' energy: -63.606 flat angles C4'-P-C4' energy: -68.494 flat angles P-C4'-P energy: -44.304 tors. eta vs tors. theta energy: 10.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1522.715001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.715001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.715001 (E_RNA) where: Base-Base interactions energy: -1068.707 where: short stacking energy: -445.601 Base-Backbone interact. energy: -1.419 local terms energy: -452.588927 where: bonds (distance) C4'-P energy: -79.482 bonds (distance) P-C4' energy: -92.818 flat angles C4'-P-C4' energy: -99.504 flat angles P-C4'-P energy: -56.278 tors. eta vs tors. theta energy: -124.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1414.611904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.611904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.611904 (E_RNA) where: Base-Base interactions energy: -987.976 where: short stacking energy: -396.390 Base-Backbone interact. energy: -0.303 local terms energy: -426.332329 where: bonds (distance) C4'-P energy: -83.772 bonds (distance) P-C4' energy: -87.108 flat angles C4'-P-C4' energy: -86.337 flat angles P-C4'-P energy: -66.750 tors. eta vs tors. theta energy: -102.365 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: 7 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1357.990954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.990954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.990954 (E_RNA) where: Base-Base interactions energy: -924.330 where: short stacking energy: -403.814 Base-Backbone interact. energy: 0.353 local terms energy: -434.013575 where: bonds (distance) C4'-P energy: -83.713 bonds (distance) P-C4' energy: -83.728 flat angles C4'-P-C4' energy: -86.442 flat angles P-C4'-P energy: -63.378 tors. eta vs tors. theta energy: -116.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1299.039074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.039074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.039074 (E_RNA) where: Base-Base interactions energy: -893.657 where: short stacking energy: -405.248 Base-Backbone interact. energy: 0.974 local terms energy: -406.356326 where: bonds (distance) C4'-P energy: -83.445 bonds (distance) P-C4' energy: -86.172 flat angles C4'-P-C4' energy: -79.964 flat angles P-C4'-P energy: -52.062 tors. eta vs tors. theta energy: -104.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1289.180382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.180382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.180382 (E_RNA) where: Base-Base interactions energy: -905.951 where: short stacking energy: -389.943 Base-Backbone interact. energy: -2.795 local terms energy: -380.435155 where: bonds (distance) C4'-P energy: -68.869 bonds (distance) P-C4' energy: -77.834 flat angles C4'-P-C4' energy: -80.233 flat angles P-C4'-P energy: -51.435 tors. eta vs tors. theta energy: -102.065 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: 6, replica: 8 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1190.919249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.919249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.919249 (E_RNA) where: Base-Base interactions energy: -783.133 where: short stacking energy: -358.573 Base-Backbone interact. energy: -0.701 local terms energy: -407.085819 where: bonds (distance) C4'-P energy: -78.818 bonds (distance) P-C4' energy: -74.989 flat angles C4'-P-C4' energy: -82.274 flat angles P-C4'-P energy: -66.471 tors. eta vs tors. theta energy: -104.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -911.702361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.702361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.702361 (E_RNA) where: Base-Base interactions energy: -578.476 where: short stacking energy: -258.893 Base-Backbone interact. energy: -1.078 local terms energy: -332.148823 where: bonds (distance) C4'-P energy: -82.046 bonds (distance) P-C4' energy: -73.187 flat angles C4'-P-C4' energy: -71.383 flat angles P-C4'-P energy: -45.685 tors. eta vs tors. theta energy: -59.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -935.526767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.526767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.526767 (E_RNA) where: Base-Base interactions energy: -607.685 where: short stacking energy: -261.904 Base-Backbone interact. energy: -1.397 local terms energy: -326.444797 where: bonds (distance) C4'-P energy: -68.538 bonds (distance) P-C4' energy: -75.483 flat angles C4'-P-C4' energy: -72.024 flat angles P-C4'-P energy: -54.108 tors. eta vs tors. theta energy: -56.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -657.453083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.453083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.453083 (E_RNA) where: Base-Base interactions energy: -352.047 where: short stacking energy: -170.181 Base-Backbone interact. energy: 0.578 local terms energy: -305.984224 where: bonds (distance) C4'-P energy: -75.267 bonds (distance) P-C4' energy: -71.858 flat angles C4'-P-C4' energy: -78.254 flat angles P-C4'-P energy: -51.589 tors. eta vs tors. theta energy: -29.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -471.382179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.382179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.382179 (E_RNA) where: Base-Base interactions energy: -223.591 where: short stacking energy: -115.738 Base-Backbone interact. energy: 2.967 local terms energy: -250.757842 where: bonds (distance) C4'-P energy: -86.399 bonds (distance) P-C4' energy: -80.399 flat angles C4'-P-C4' energy: -58.488 flat angles P-C4'-P energy: -22.298 tors. eta vs tors. theta energy: -3.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1509.679278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.679278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.679278 (E_RNA) where: Base-Base interactions energy: -1052.923 where: short stacking energy: -458.038 Base-Backbone interact. energy: -2.984 local terms energy: -453.772189 where: bonds (distance) C4'-P energy: -81.943 bonds (distance) P-C4' energy: -86.499 flat angles C4'-P-C4' energy: -94.042 flat angles P-C4'-P energy: -66.004 tors. eta vs tors. theta energy: -125.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1422.556511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.556511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.556511 (E_RNA) where: Base-Base interactions energy: -1007.274 where: short stacking energy: -411.644 Base-Backbone interact. energy: -1.056 local terms energy: -414.226480 where: bonds (distance) C4'-P energy: -75.182 bonds (distance) P-C4' energy: -96.633 flat angles C4'-P-C4' energy: -91.615 flat angles P-C4'-P energy: -50.883 tors. eta vs tors. theta energy: -99.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1360.647728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.647728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.647728 (E_RNA) where: Base-Base interactions energy: -929.155 where: short stacking energy: -410.029 Base-Backbone interact. energy: -2.199 local terms energy: -429.293774 where: bonds (distance) C4'-P energy: -83.591 bonds (distance) P-C4' energy: -85.253 flat angles C4'-P-C4' energy: -84.745 flat angles P-C4'-P energy: -57.659 tors. eta vs tors. theta energy: -118.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1313.206323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.206323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.206323 (E_RNA) where: Base-Base interactions energy: -909.768 where: short stacking energy: -400.420 Base-Backbone interact. energy: -0.167 local terms energy: -403.270734 where: bonds (distance) C4'-P energy: -75.131 bonds (distance) P-C4' energy: -78.817 flat angles C4'-P-C4' energy: -85.402 flat angles P-C4'-P energy: -52.406 tors. eta vs tors. theta energy: -111.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1282.485097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.485097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.485097 (E_RNA) where: Base-Base interactions energy: -880.679 where: short stacking energy: -366.835 Base-Backbone interact. energy: -0.392 local terms energy: -401.414870 where: bonds (distance) C4'-P energy: -82.626 bonds (distance) P-C4' energy: -87.243 flat angles C4'-P-C4' energy: -82.884 flat angles P-C4'-P energy: -53.620 tors. eta vs tors. theta energy: -95.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1143.089118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.089118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.089118 (E_RNA) where: Base-Base interactions energy: -764.976 where: short stacking energy: -342.187 Base-Backbone interact. energy: -0.044 local terms energy: -378.069420 where: bonds (distance) C4'-P energy: -66.043 bonds (distance) P-C4' energy: -78.184 flat angles C4'-P-C4' energy: -94.407 flat angles P-C4'-P energy: -47.685 tors. eta vs tors. theta energy: -91.750 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: 7, replica: 3 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1002.104171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.104171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.104171 (E_RNA) where: Base-Base interactions energy: -653.366 where: short stacking energy: -318.793 Base-Backbone interact. energy: -1.221 local terms energy: -347.517566 where: bonds (distance) C4'-P energy: -72.567 bonds (distance) P-C4' energy: -69.303 flat angles C4'-P-C4' energy: -82.668 flat angles P-C4'-P energy: -59.708 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: 8, replica: 9 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -852.886462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.886462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.886462 (E_RNA) where: Base-Base interactions energy: -559.401 where: short stacking energy: -245.877 Base-Backbone interact. energy: 0.006 local terms energy: -293.492092 where: bonds (distance) C4'-P energy: -49.410 bonds (distance) P-C4' energy: -73.858 flat angles C4'-P-C4' energy: -68.919 flat angles P-C4'-P energy: -51.176 tors. eta vs tors. theta energy: -50.130 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: 5 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -567.987263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.987263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.987263 (E_RNA) where: Base-Base interactions energy: -317.976 where: short stacking energy: -195.676 Base-Backbone interact. energy: 0.928 local terms energy: -250.938843 where: bonds (distance) C4'-P energy: -61.480 bonds (distance) P-C4' energy: -78.310 flat angles C4'-P-C4' energy: -55.700 flat angles P-C4'-P energy: -33.332 tors. eta vs tors. theta energy: -22.117 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: 4 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -468.241877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.241877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.241877 (E_RNA) where: Base-Base interactions energy: -223.689 where: short stacking energy: -117.608 Base-Backbone interact. energy: 1.888 local terms energy: -246.441496 where: bonds (distance) C4'-P energy: -55.808 bonds (distance) P-C4' energy: -81.170 flat angles C4'-P-C4' energy: -68.298 flat angles P-C4'-P energy: -44.210 tors. eta vs tors. theta energy: 3.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1492.088473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.088473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.088473 (E_RNA) where: Base-Base interactions energy: -1045.381 where: short stacking energy: -433.752 Base-Backbone interact. energy: -0.220 local terms energy: -446.488076 where: bonds (distance) C4'-P energy: -90.590 bonds (distance) P-C4' energy: -79.351 flat angles C4'-P-C4' energy: -97.821 flat angles P-C4'-P energy: -52.836 tors. eta vs tors. theta energy: -125.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1412.460253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.460253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.460253 (E_RNA) where: Base-Base interactions energy: -977.420 where: short stacking energy: -381.491 Base-Backbone interact. energy: -1.188 local terms energy: -433.852103 where: bonds (distance) C4'-P energy: -83.921 bonds (distance) P-C4' energy: -90.044 flat angles C4'-P-C4' energy: -90.668 flat angles P-C4'-P energy: -69.347 tors. eta vs tors. theta energy: -99.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1304.671677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.671677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.671677 (E_RNA) where: Base-Base interactions energy: -888.788 where: short stacking energy: -408.235 Base-Backbone interact. energy: -1.840 local terms energy: -414.043832 where: bonds (distance) C4'-P energy: -78.024 bonds (distance) P-C4' energy: -85.111 flat angles C4'-P-C4' energy: -84.086 flat angles P-C4'-P energy: -62.537 tors. eta vs tors. theta energy: -104.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1345.760723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.760723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.760723 (E_RNA) where: Base-Base interactions energy: -928.129 where: short stacking energy: -401.059 Base-Backbone interact. energy: -0.830 local terms energy: -416.801651 where: bonds (distance) C4'-P energy: -76.495 bonds (distance) P-C4' energy: -81.239 flat angles C4'-P-C4' energy: -84.779 flat angles P-C4'-P energy: -61.774 tors. eta vs tors. theta energy: -112.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1294.870769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.870769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.870769 (E_RNA) where: Base-Base interactions energy: -904.748 where: short stacking energy: -366.480 Base-Backbone interact. energy: 0.330 local terms energy: -390.453055 where: bonds (distance) C4'-P energy: -79.978 bonds (distance) P-C4' energy: -75.070 flat angles C4'-P-C4' energy: -91.394 flat angles P-C4'-P energy: -46.583 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: 6, replica: 8 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1154.935371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.935371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.935371 (E_RNA) where: Base-Base interactions energy: -789.443 where: short stacking energy: -353.175 Base-Backbone interact. energy: -0.261 local terms energy: -365.231116 where: bonds (distance) C4'-P energy: -79.610 bonds (distance) P-C4' energy: -64.974 flat angles C4'-P-C4' energy: -82.836 flat angles P-C4'-P energy: -48.599 tors. eta vs tors. theta energy: -89.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -966.909389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.909389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.909389 (E_RNA) where: Base-Base interactions energy: -642.124 where: short stacking energy: -301.734 Base-Backbone interact. energy: -0.514 local terms energy: -324.271520 where: bonds (distance) C4'-P energy: -68.799 bonds (distance) P-C4' energy: -69.648 flat angles C4'-P-C4' energy: -75.890 flat angles P-C4'-P energy: -54.840 tors. eta vs tors. theta energy: -55.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -841.236271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.236271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.236271 (E_RNA) where: Base-Base interactions energy: -545.030 where: short stacking energy: -276.138 Base-Backbone interact. energy: 1.038 local terms energy: -297.244160 where: bonds (distance) C4'-P energy: -51.306 bonds (distance) P-C4' energy: -58.054 flat angles C4'-P-C4' energy: -91.682 flat angles P-C4'-P energy: -41.698 tors. eta vs tors. theta energy: -54.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -613.108123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.108123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.108123 (E_RNA) where: Base-Base interactions energy: -348.133 where: short stacking energy: -199.205 Base-Backbone interact. energy: 2.517 local terms energy: -267.491984 where: bonds (distance) C4'-P energy: -57.685 bonds (distance) P-C4' energy: -81.527 flat angles C4'-P-C4' energy: -69.255 flat angles P-C4'-P energy: -32.596 tors. eta vs tors. theta energy: -26.428 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: 4 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -450.559018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.559018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.559018 (E_RNA) where: Base-Base interactions energy: -217.226 where: short stacking energy: -144.153 Base-Backbone interact. energy: 0.159 local terms energy: -233.491506 where: bonds (distance) C4'-P energy: -71.166 bonds (distance) P-C4' energy: -64.077 flat angles C4'-P-C4' energy: -59.290 flat angles P-C4'-P energy: -39.388 tors. eta vs tors. theta energy: 0.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1494.658561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.658561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.658561 (E_RNA) where: Base-Base interactions energy: -1037.585 where: short stacking energy: -444.722 Base-Backbone interact. energy: -2.371 local terms energy: -454.702189 where: bonds (distance) C4'-P energy: -91.247 bonds (distance) P-C4' energy: -83.898 flat angles C4'-P-C4' energy: -93.013 flat angles P-C4'-P energy: -58.337 tors. eta vs tors. theta energy: -128.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1416.511158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.511158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.511158 (E_RNA) where: Base-Base interactions energy: -998.488 where: short stacking energy: -403.442 Base-Backbone interact. energy: 1.113 local terms energy: -419.136086 where: bonds (distance) C4'-P energy: -69.617 bonds (distance) P-C4' energy: -89.122 flat angles C4'-P-C4' energy: -94.232 flat angles P-C4'-P energy: -63.339 tors. eta vs tors. theta energy: -102.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1346.334299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.334299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.334299 (E_RNA) where: Base-Base interactions energy: -936.057 where: short stacking energy: -414.009 Base-Backbone interact. energy: -3.742 local terms energy: -406.535004 where: bonds (distance) C4'-P energy: -63.478 bonds (distance) P-C4' energy: -72.414 flat angles C4'-P-C4' energy: -94.193 flat angles P-C4'-P energy: -64.150 tors. eta vs tors. theta energy: -112.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1272.557429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.557429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.557429 (E_RNA) where: Base-Base interactions energy: -885.390 where: short stacking energy: -385.147 Base-Backbone interact. energy: -1.525 local terms energy: -385.642983 where: bonds (distance) C4'-P energy: -82.801 bonds (distance) P-C4' energy: -72.041 flat angles C4'-P-C4' energy: -84.735 flat angles P-C4'-P energy: -40.223 tors. eta vs tors. theta energy: -105.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1309.474655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.474655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.474655 (E_RNA) where: Base-Base interactions energy: -904.214 where: short stacking energy: -358.909 Base-Backbone interact. energy: -1.188 local terms energy: -404.072729 where: bonds (distance) C4'-P energy: -71.692 bonds (distance) P-C4' energy: -80.413 flat angles C4'-P-C4' energy: -93.982 flat angles P-C4'-P energy: -60.050 tors. eta vs tors. theta energy: -97.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1145.510956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.510956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.510956 (E_RNA) where: Base-Base interactions energy: -777.548 where: short stacking energy: -353.042 Base-Backbone interact. energy: 0.318 local terms energy: -368.281613 where: bonds (distance) C4'-P energy: -70.085 bonds (distance) P-C4' energy: -81.506 flat angles C4'-P-C4' energy: -79.691 flat angles P-C4'-P energy: -41.450 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: 7, replica: 3 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -956.855279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.855279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.855279 (E_RNA) where: Base-Base interactions energy: -603.311 where: short stacking energy: -280.053 Base-Backbone interact. energy: -2.619 local terms energy: -350.925760 where: bonds (distance) C4'-P energy: -74.384 bonds (distance) P-C4' energy: -63.895 flat angles C4'-P-C4' energy: -87.663 flat angles P-C4'-P energy: -51.787 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: 8, replica: 9 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -811.366468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.366468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.366468 (E_RNA) where: Base-Base interactions energy: -518.067 where: short stacking energy: -252.906 Base-Backbone interact. energy: -1.455 local terms energy: -291.844786 where: bonds (distance) C4'-P energy: -70.492 bonds (distance) P-C4' energy: -75.051 flat angles C4'-P-C4' energy: -63.580 flat angles P-C4'-P energy: -43.322 tors. eta vs tors. theta energy: -39.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -601.840643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.840643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.840643 (E_RNA) where: Base-Base interactions energy: -315.553 where: short stacking energy: -178.905 Base-Backbone interact. energy: -0.156 local terms energy: -286.131730 where: bonds (distance) C4'-P energy: -59.758 bonds (distance) P-C4' energy: -89.062 flat angles C4'-P-C4' energy: -68.131 flat angles P-C4'-P energy: -48.932 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: 4 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -404.749773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.749773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.749773 (E_RNA) where: Base-Base interactions energy: -185.411 where: short stacking energy: -127.285 Base-Backbone interact. energy: 0.421 local terms energy: -219.759863 where: bonds (distance) C4'-P energy: -72.312 bonds (distance) P-C4' energy: -68.681 flat angles C4'-P-C4' energy: -48.920 flat angles P-C4'-P energy: -19.278 tors. eta vs tors. theta energy: -10.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1503.032613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.032613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.032613 (E_RNA) where: Base-Base interactions energy: -1037.926 where: short stacking energy: -445.881 Base-Backbone interact. energy: -0.563 local terms energy: -464.543191 where: bonds (distance) C4'-P energy: -86.537 bonds (distance) P-C4' energy: -81.003 flat angles C4'-P-C4' energy: -92.783 flat angles P-C4'-P energy: -67.996 tors. eta vs tors. theta energy: -136.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1400.314107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.314107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.314107 (E_RNA) where: Base-Base interactions energy: -1002.656 where: short stacking energy: -408.743 Base-Backbone interact. energy: -1.012 local terms energy: -396.646329 where: bonds (distance) C4'-P energy: -68.494 bonds (distance) P-C4' energy: -85.262 flat angles C4'-P-C4' energy: -83.564 flat angles P-C4'-P energy: -55.459 tors. eta vs tors. theta energy: -103.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1371.492735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.492735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.492735 (E_RNA) where: Base-Base interactions energy: -959.557 where: short stacking energy: -391.867 Base-Backbone interact. energy: -2.194 local terms energy: -409.742142 where: bonds (distance) C4'-P energy: -83.594 bonds (distance) P-C4' energy: -72.925 flat angles C4'-P-C4' energy: -79.877 flat angles P-C4'-P energy: -63.391 tors. eta vs tors. theta energy: -109.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1315.645965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.645965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.645965 (E_RNA) where: Base-Base interactions energy: -913.329 where: short stacking energy: -403.723 Base-Backbone interact. energy: -2.077 local terms energy: -400.239994 where: bonds (distance) C4'-P energy: -75.847 bonds (distance) P-C4' energy: -78.878 flat angles C4'-P-C4' energy: -75.964 flat angles P-C4'-P energy: -63.577 tors. eta vs tors. theta energy: -105.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1294.766879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.766879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.766879 (E_RNA) where: Base-Base interactions energy: -919.210 where: short stacking energy: -363.045 Base-Backbone interact. energy: -1.743 local terms energy: -373.813414 where: bonds (distance) C4'-P energy: -69.000 bonds (distance) P-C4' energy: -78.343 flat angles C4'-P-C4' energy: -82.399 flat angles P-C4'-P energy: -46.391 tors. eta vs tors. theta energy: -97.680 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: 8 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1094.544228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.544228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.544228 (E_RNA) where: Base-Base interactions energy: -736.617 where: short stacking energy: -333.438 Base-Backbone interact. energy: 0.322 local terms energy: -358.249028 where: bonds (distance) C4'-P energy: -65.864 bonds (distance) P-C4' energy: -76.634 flat angles C4'-P-C4' energy: -74.999 flat angles P-C4'-P energy: -57.738 tors. eta vs tors. theta energy: -83.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -948.030902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.030902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.030902 (E_RNA) where: Base-Base interactions energy: -619.982 where: short stacking energy: -288.702 Base-Backbone interact. energy: 0.001 local terms energy: -328.049661 where: bonds (distance) C4'-P energy: -71.330 bonds (distance) P-C4' energy: -78.915 flat angles C4'-P-C4' energy: -73.306 flat angles P-C4'-P energy: -36.417 tors. eta vs tors. theta energy: -68.082 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: 8, replica: 9 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -841.719469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.719469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.719469 (E_RNA) where: Base-Base interactions energy: -538.392 where: short stacking energy: -253.542 Base-Backbone interact. energy: -1.136 local terms energy: -302.191376 where: bonds (distance) C4'-P energy: -66.281 bonds (distance) P-C4' energy: -76.327 flat angles C4'-P-C4' energy: -64.098 flat angles P-C4'-P energy: -48.446 tors. eta vs tors. theta energy: -47.039 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: 5 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -602.382560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.382560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.382560 (E_RNA) where: Base-Base interactions energy: -325.454 where: short stacking energy: -185.172 Base-Backbone interact. energy: 3.411 local terms energy: -280.339732 where: bonds (distance) C4'-P energy: -69.317 bonds (distance) P-C4' energy: -67.750 flat angles C4'-P-C4' energy: -62.684 flat angles P-C4'-P energy: -49.477 tors. eta vs tors. theta energy: -31.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -415.591987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.591987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.591987 (E_RNA) where: Base-Base interactions energy: -184.623 where: short stacking energy: -116.941 Base-Backbone interact. energy: -0.224 local terms energy: -230.745357 where: bonds (distance) C4'-P energy: -61.636 bonds (distance) P-C4' energy: -75.112 flat angles C4'-P-C4' energy: -59.673 flat angles P-C4'-P energy: -37.188 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: 126 Temperature: 0.900000 Total energy: -1524.249827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.249827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.249827 (E_RNA) where: Base-Base interactions energy: -1075.805 where: short stacking energy: -453.274 Base-Backbone interact. energy: 1.101 local terms energy: -449.545069 where: bonds (distance) C4'-P energy: -87.586 bonds (distance) P-C4' energy: -79.727 flat angles C4'-P-C4' energy: -87.073 flat angles P-C4'-P energy: -59.897 tors. eta vs tors. theta energy: -135.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1416.393949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.393949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.393949 (E_RNA) where: Base-Base interactions energy: -973.376 where: short stacking energy: -411.297 Base-Backbone interact. energy: -1.472 local terms energy: -441.545844 where: bonds (distance) C4'-P energy: -80.539 bonds (distance) P-C4' energy: -81.757 flat angles C4'-P-C4' energy: -100.206 flat angles P-C4'-P energy: -67.241 tors. eta vs tors. theta energy: -111.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1356.985489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.985489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.985489 (E_RNA) where: Base-Base interactions energy: -942.958 where: short stacking energy: -411.959 Base-Backbone interact. energy: -0.996 local terms energy: -413.031122 where: bonds (distance) C4'-P energy: -79.870 bonds (distance) P-C4' energy: -78.068 flat angles C4'-P-C4' energy: -85.303 flat angles P-C4'-P energy: -56.875 tors. eta vs tors. theta energy: -112.914 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: 2 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1306.231217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.231217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.231217 (E_RNA) where: Base-Base interactions energy: -890.881 where: short stacking energy: -407.847 Base-Backbone interact. energy: -2.543 local terms energy: -412.807385 where: bonds (distance) C4'-P energy: -67.761 bonds (distance) P-C4' energy: -85.857 flat angles C4'-P-C4' energy: -82.583 flat angles P-C4'-P energy: -57.408 tors. eta vs tors. theta energy: -119.198 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: 6 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1299.224472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.224472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.224472 (E_RNA) where: Base-Base interactions energy: -903.001 where: short stacking energy: -383.553 Base-Backbone interact. energy: -0.986 local terms energy: -395.237669 where: bonds (distance) C4'-P energy: -76.659 bonds (distance) P-C4' energy: -73.363 flat angles C4'-P-C4' energy: -90.601 flat angles P-C4'-P energy: -51.208 tors. eta vs tors. theta energy: -103.406 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: 8 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1158.539476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.539476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.539476 (E_RNA) where: Base-Base interactions energy: -787.802 where: short stacking energy: -369.638 Base-Backbone interact. energy: 1.546 local terms energy: -372.283021 where: bonds (distance) C4'-P energy: -59.550 bonds (distance) P-C4' energy: -75.251 flat angles C4'-P-C4' energy: -81.816 flat angles P-C4'-P energy: -58.541 tors. eta vs tors. theta energy: -97.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -925.493703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.493703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.493703 (E_RNA) where: Base-Base interactions energy: -618.385 where: short stacking energy: -275.640 Base-Backbone interact. energy: 0.041 local terms energy: -307.150233 where: bonds (distance) C4'-P energy: -69.789 bonds (distance) P-C4' energy: -74.617 flat angles C4'-P-C4' energy: -74.062 flat angles P-C4'-P energy: -32.504 tors. eta vs tors. theta energy: -56.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -772.978825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.978825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.978825 (E_RNA) where: Base-Base interactions energy: -476.914 where: short stacking energy: -238.378 Base-Backbone interact. energy: -1.084 local terms energy: -294.981466 where: bonds (distance) C4'-P energy: -58.616 bonds (distance) P-C4' energy: -84.965 flat angles C4'-P-C4' energy: -58.502 flat angles P-C4'-P energy: -50.387 tors. eta vs tors. theta energy: -42.512 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: 5 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -590.516961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.516961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.516961 (E_RNA) where: Base-Base interactions energy: -314.527 where: short stacking energy: -173.356 Base-Backbone interact. energy: 2.387 local terms energy: -278.377249 where: bonds (distance) C4'-P energy: -65.472 bonds (distance) P-C4' energy: -78.414 flat angles C4'-P-C4' energy: -60.866 flat angles P-C4'-P energy: -47.056 tors. eta vs tors. theta energy: -26.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -403.451999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.451999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.451999 (E_RNA) where: Base-Base interactions energy: -172.722 where: short stacking energy: -119.254 Base-Backbone interact. energy: 1.105 local terms energy: -231.835034 where: bonds (distance) C4'-P energy: -70.867 bonds (distance) P-C4' energy: -73.780 flat angles C4'-P-C4' energy: -52.335 flat angles P-C4'-P energy: -44.324 tors. eta vs tors. theta energy: 9.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1515.580143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.580143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.580143 (E_RNA) where: Base-Base interactions energy: -1069.808 where: short stacking energy: -447.414 Base-Backbone interact. energy: -1.701 local terms energy: -444.071056 where: bonds (distance) C4'-P energy: -78.279 bonds (distance) P-C4' energy: -79.819 flat angles C4'-P-C4' energy: -97.520 flat angles P-C4'-P energy: -59.191 tors. eta vs tors. theta energy: -129.263 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: 2, replica: 1 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1433.416484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.416484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.416484 (E_RNA) where: Base-Base interactions energy: -986.884 where: short stacking energy: -433.449 Base-Backbone interact. energy: -2.081 local terms energy: -444.451626 where: bonds (distance) C4'-P energy: -90.744 bonds (distance) P-C4' energy: -85.537 flat angles C4'-P-C4' energy: -100.497 flat angles P-C4'-P energy: -63.149 tors. eta vs tors. theta energy: -104.523 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: 3, replica: 7 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1347.251471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.251471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.251471 (E_RNA) where: Base-Base interactions energy: -918.686 where: short stacking energy: -394.655 Base-Backbone interact. energy: -2.116 local terms energy: -426.449402 where: bonds (distance) C4'-P energy: -84.661 bonds (distance) P-C4' energy: -84.190 flat angles C4'-P-C4' energy: -87.991 flat angles P-C4'-P energy: -56.909 tors. eta vs tors. theta energy: -112.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1351.423964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.423964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.423964 (E_RNA) where: Base-Base interactions energy: -946.699 where: short stacking energy: -377.546 Base-Backbone interact. energy: -1.914 local terms energy: -402.810795 where: bonds (distance) C4'-P energy: -78.515 bonds (distance) P-C4' energy: -74.236 flat angles C4'-P-C4' energy: -81.244 flat angles P-C4'-P energy: -64.364 tors. eta vs tors. theta energy: -104.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1274.804985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.804985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.804985 (E_RNA) where: Base-Base interactions energy: -903.190 where: short stacking energy: -395.467 Base-Backbone interact. energy: -2.048 local terms energy: -369.567226 where: bonds (distance) C4'-P energy: -61.004 bonds (distance) P-C4' energy: -81.244 flat angles C4'-P-C4' energy: -77.670 flat angles P-C4'-P energy: -55.802 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: 6, replica: 8 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1184.107708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.107708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.107708 (E_RNA) where: Base-Base interactions energy: -792.878 where: short stacking energy: -366.071 Base-Backbone interact. energy: -1.395 local terms energy: -389.835129 where: bonds (distance) C4'-P energy: -73.009 bonds (distance) P-C4' energy: -71.194 flat angles C4'-P-C4' energy: -81.681 flat angles P-C4'-P energy: -50.519 tors. eta vs tors. theta energy: -113.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -906.718134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.718134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.718134 (E_RNA) where: Base-Base interactions energy: -592.239 where: short stacking energy: -270.699 Base-Backbone interact. energy: 3.446 local terms energy: -317.925505 where: bonds (distance) C4'-P energy: -74.019 bonds (distance) P-C4' energy: -75.456 flat angles C4'-P-C4' energy: -61.744 flat angles P-C4'-P energy: -42.516 tors. eta vs tors. theta energy: -64.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -827.974788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.974788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.974788 (E_RNA) where: Base-Base interactions energy: -520.633 where: short stacking energy: -262.345 Base-Backbone interact. energy: -1.956 local terms energy: -305.385955 where: bonds (distance) C4'-P energy: -72.931 bonds (distance) P-C4' energy: -69.904 flat angles C4'-P-C4' energy: -69.022 flat angles P-C4'-P energy: -40.413 tors. eta vs tors. theta energy: -53.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -652.799998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.799998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.799998 (E_RNA) where: Base-Base interactions energy: -378.296 where: short stacking energy: -177.015 Base-Backbone interact. energy: -0.728 local terms energy: -273.776134 where: bonds (distance) C4'-P energy: -63.550 bonds (distance) P-C4' energy: -80.468 flat angles C4'-P-C4' energy: -83.372 flat angles P-C4'-P energy: -33.217 tors. eta vs tors. theta energy: -13.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -418.855170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.855170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.855170 (E_RNA) where: Base-Base interactions energy: -180.630 where: short stacking energy: -130.303 Base-Backbone interact. energy: -3.019 local terms energy: -235.205868 where: bonds (distance) C4'-P energy: -73.212 bonds (distance) P-C4' energy: -72.297 flat angles C4'-P-C4' energy: -70.636 flat angles P-C4'-P energy: -22.881 tors. eta vs tors. theta energy: 3.819 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: 1, replica: 10 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1550.311622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.311622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.311622 (E_RNA) where: Base-Base interactions energy: -1067.221 where: short stacking energy: -449.837 Base-Backbone interact. energy: -2.441 local terms energy: -480.650016 where: bonds (distance) C4'-P energy: -86.588 bonds (distance) P-C4' energy: -91.295 flat angles C4'-P-C4' energy: -97.613 flat angles P-C4'-P energy: -63.440 tors. eta vs tors. theta energy: -141.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1435.944621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.944621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.944621 (E_RNA) where: Base-Base interactions energy: -992.148 where: short stacking energy: -403.497 Base-Backbone interact. energy: -2.391 local terms energy: -441.405116 where: bonds (distance) C4'-P energy: -78.010 bonds (distance) P-C4' energy: -88.907 flat angles C4'-P-C4' energy: -101.415 flat angles P-C4'-P energy: -69.883 tors. eta vs tors. theta energy: -103.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1384.041139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.041139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.041139 (E_RNA) where: Base-Base interactions energy: -968.323 where: short stacking energy: -428.024 Base-Backbone interact. energy: -0.406 local terms energy: -415.311342 where: bonds (distance) C4'-P energy: -66.596 bonds (distance) P-C4' energy: -90.836 flat angles C4'-P-C4' energy: -87.198 flat angles P-C4'-P energy: -56.973 tors. eta vs tors. theta energy: -113.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1297.168253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.168253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.168253 (E_RNA) where: Base-Base interactions energy: -896.004 where: short stacking energy: -383.873 Base-Backbone interact. energy: -1.696 local terms energy: -399.468100 where: bonds (distance) C4'-P energy: -69.725 bonds (distance) P-C4' energy: -77.483 flat angles C4'-P-C4' energy: -89.970 flat angles P-C4'-P energy: -52.371 tors. eta vs tors. theta energy: -109.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1280.597506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.597506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.597506 (E_RNA) where: Base-Base interactions energy: -866.464 where: short stacking energy: -396.401 Base-Backbone interact. energy: -2.685 local terms energy: -411.448622 where: bonds (distance) C4'-P energy: -75.022 bonds (distance) P-C4' energy: -82.221 flat angles C4'-P-C4' energy: -87.902 flat angles P-C4'-P energy: -58.739 tors. eta vs tors. theta energy: -107.565 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: 6, replica: 8 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1174.897046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.897046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.897046 (E_RNA) where: Base-Base interactions energy: -771.011 where: short stacking energy: -367.970 Base-Backbone interact. energy: 3.844 local terms energy: -407.729853 where: bonds (distance) C4'-P energy: -83.077 bonds (distance) P-C4' energy: -71.984 flat angles C4'-P-C4' energy: -89.406 flat angles P-C4'-P energy: -64.125 tors. eta vs tors. theta energy: -99.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -920.699212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.699212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.699212 (E_RNA) where: Base-Base interactions energy: -590.600 where: short stacking energy: -286.510 Base-Backbone interact. energy: 0.585 local terms energy: -330.683575 where: bonds (distance) C4'-P energy: -70.202 bonds (distance) P-C4' energy: -72.935 flat angles C4'-P-C4' energy: -84.469 flat angles P-C4'-P energy: -32.265 tors. eta vs tors. theta energy: -70.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -846.360735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.360735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.360735 (E_RNA) where: Base-Base interactions energy: -533.975 where: short stacking energy: -256.362 Base-Backbone interact. energy: 0.620 local terms energy: -313.005398 where: bonds (distance) C4'-P energy: -79.376 bonds (distance) P-C4' energy: -81.307 flat angles C4'-P-C4' energy: -69.360 flat angles P-C4'-P energy: -35.656 tors. eta vs tors. theta energy: -47.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -674.025986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.025986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.025986 (E_RNA) where: Base-Base interactions energy: -394.056 where: short stacking energy: -195.794 Base-Backbone interact. energy: -1.034 local terms energy: -278.936314 where: bonds (distance) C4'-P energy: -56.673 bonds (distance) P-C4' energy: -69.925 flat angles C4'-P-C4' energy: -68.969 flat angles P-C4'-P energy: -38.113 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: 10, replica: 4 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -424.467213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.467213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.467213 (E_RNA) where: Base-Base interactions energy: -222.091 where: short stacking energy: -126.878 Base-Backbone interact. energy: 5.458 local terms energy: -207.834079 where: bonds (distance) C4'-P energy: -51.733 bonds (distance) P-C4' energy: -59.476 flat angles C4'-P-C4' energy: -53.515 flat angles P-C4'-P energy: -42.425 tors. eta vs tors. theta energy: -0.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1518.104804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.104804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.104804 (E_RNA) where: Base-Base interactions energy: -1041.240 where: short stacking energy: -453.899 Base-Backbone interact. energy: -0.778 local terms energy: -476.087407 where: bonds (distance) C4'-P energy: -85.186 bonds (distance) P-C4' energy: -88.561 flat angles C4'-P-C4' energy: -99.609 flat angles P-C4'-P energy: -66.282 tors. eta vs tors. theta energy: -136.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1429.137452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.137452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.137452 (E_RNA) where: Base-Base interactions energy: -997.136 where: short stacking energy: -412.564 Base-Backbone interact. energy: -1.200 local terms energy: -430.801422 where: bonds (distance) C4'-P energy: -70.183 bonds (distance) P-C4' energy: -86.087 flat angles C4'-P-C4' energy: -99.616 flat angles P-C4'-P energy: -60.428 tors. eta vs tors. theta energy: -114.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1398.247969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.247969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.247969 (E_RNA) where: Base-Base interactions energy: -982.828 where: short stacking energy: -400.259 Base-Backbone interact. energy: -2.008 local terms energy: -413.412595 where: bonds (distance) C4'-P energy: -78.273 bonds (distance) P-C4' energy: -88.388 flat angles C4'-P-C4' energy: -92.158 flat angles P-C4'-P energy: -44.641 tors. eta vs tors. theta energy: -109.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1321.042928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.042928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.042928 (E_RNA) where: Base-Base interactions energy: -915.708 where: short stacking energy: -418.362 Base-Backbone interact. energy: -1.397 local terms energy: -403.937739 where: bonds (distance) C4'-P energy: -73.957 bonds (distance) P-C4' energy: -68.934 flat angles C4'-P-C4' energy: -92.134 flat angles P-C4'-P energy: -61.188 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: 5, replica: 7 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1267.763303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.763303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.763303 (E_RNA) where: Base-Base interactions energy: -860.940 where: short stacking energy: -368.121 Base-Backbone interact. energy: -0.248 local terms energy: -406.575614 where: bonds (distance) C4'-P energy: -78.316 bonds (distance) P-C4' energy: -76.486 flat angles C4'-P-C4' energy: -91.596 flat angles P-C4'-P energy: -55.013 tors. eta vs tors. theta energy: -105.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1162.235773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.235773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.235773 (E_RNA) where: Base-Base interactions energy: -795.942 where: short stacking energy: -356.795 Base-Backbone interact. energy: 0.628 local terms energy: -366.921856 where: bonds (distance) C4'-P energy: -73.956 bonds (distance) P-C4' energy: -62.754 flat angles C4'-P-C4' energy: -86.806 flat angles P-C4'-P energy: -47.934 tors. eta vs tors. theta energy: -95.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -911.557568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.557568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.557568 (E_RNA) where: Base-Base interactions energy: -591.566 where: short stacking energy: -275.673 Base-Backbone interact. energy: 0.520 local terms energy: -320.511302 where: bonds (distance) C4'-P energy: -73.615 bonds (distance) P-C4' energy: -59.341 flat angles C4'-P-C4' energy: -75.786 flat angles P-C4'-P energy: -55.391 tors. eta vs tors. theta energy: -56.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -853.655802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.655802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.655802 (E_RNA) where: Base-Base interactions energy: -549.753 where: short stacking energy: -267.644 Base-Backbone interact. energy: 6.851 local terms energy: -310.753618 where: bonds (distance) C4'-P energy: -50.458 bonds (distance) P-C4' energy: -79.680 flat angles C4'-P-C4' energy: -82.524 flat angles P-C4'-P energy: -42.234 tors. eta vs tors. theta energy: -55.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -684.395879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.395879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.395879 (E_RNA) where: Base-Base interactions energy: -415.328 where: short stacking energy: -211.803 Base-Backbone interact. energy: -0.789 local terms energy: -268.279309 where: bonds (distance) C4'-P energy: -66.331 bonds (distance) P-C4' energy: -61.133 flat angles C4'-P-C4' energy: -73.890 flat angles P-C4'-P energy: -40.908 tors. eta vs tors. theta energy: -26.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -442.175906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.175906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.175906 (E_RNA) where: Base-Base interactions energy: -205.323 where: short stacking energy: -129.018 Base-Backbone interact. energy: 0.436 local terms energy: -237.288818 where: bonds (distance) C4'-P energy: -72.925 bonds (distance) P-C4' energy: -75.584 flat angles C4'-P-C4' energy: -62.135 flat angles P-C4'-P energy: -35.644 tors. eta vs tors. theta energy: 8.999 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: 130 Temperature: 0.900000 Total energy: -1510.380613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.380613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.380613 (E_RNA) where: Base-Base interactions energy: -1057.120 where: short stacking energy: -449.007 Base-Backbone interact. energy: -2.926 local terms energy: -450.334249 where: bonds (distance) C4'-P energy: -78.905 bonds (distance) P-C4' energy: -80.164 flat angles C4'-P-C4' energy: -97.570 flat angles P-C4'-P energy: -58.772 tors. eta vs tors. theta energy: -134.923 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: 6 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1443.044136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.044136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.044136 (E_RNA) where: Base-Base interactions energy: -1002.846 where: short stacking energy: -431.394 Base-Backbone interact. energy: -1.391 local terms energy: -438.807658 where: bonds (distance) C4'-P energy: -79.270 bonds (distance) P-C4' energy: -88.734 flat angles C4'-P-C4' energy: -96.045 flat angles P-C4'-P energy: -60.340 tors. eta vs tors. theta energy: -114.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1404.170203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.170203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.170203 (E_RNA) where: Base-Base interactions energy: -1000.791 where: short stacking energy: -406.096 Base-Backbone interact. energy: -2.499 local terms energy: -400.880829 where: bonds (distance) C4'-P energy: -73.308 bonds (distance) P-C4' energy: -68.806 flat angles C4'-P-C4' energy: -99.786 flat angles P-C4'-P energy: -61.970 tors. eta vs tors. theta energy: -97.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1316.909729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.909729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.909729 (E_RNA) where: Base-Base interactions energy: -908.772 where: short stacking energy: -414.234 Base-Backbone interact. energy: -0.367 local terms energy: -407.770268 where: bonds (distance) C4'-P energy: -70.080 bonds (distance) P-C4' energy: -79.297 flat angles C4'-P-C4' energy: -84.312 flat angles P-C4'-P energy: -57.864 tors. eta vs tors. theta energy: -116.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1249.433474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.433474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.433474 (E_RNA) where: Base-Base interactions energy: -882.694 where: short stacking energy: -383.024 Base-Backbone interact. energy: -1.704 local terms energy: -365.035346 where: bonds (distance) C4'-P energy: -72.629 bonds (distance) P-C4' energy: -64.090 flat angles C4'-P-C4' energy: -81.033 flat angles P-C4'-P energy: -48.376 tors. eta vs tors. theta energy: -98.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1183.771594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.771594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.771594 (E_RNA) where: Base-Base interactions energy: -795.224 where: short stacking energy: -357.000 Base-Backbone interact. energy: -1.750 local terms energy: -386.797737 where: bonds (distance) C4'-P energy: -82.075 bonds (distance) P-C4' energy: -73.073 flat angles C4'-P-C4' energy: -80.911 flat angles P-C4'-P energy: -55.234 tors. eta vs tors. theta energy: -95.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -977.544259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.544259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.544259 (E_RNA) where: Base-Base interactions energy: -644.493 where: short stacking energy: -265.378 Base-Backbone interact. energy: -1.480 local terms energy: -331.571528 where: bonds (distance) C4'-P energy: -78.485 bonds (distance) P-C4' energy: -70.478 flat angles C4'-P-C4' energy: -69.057 flat angles P-C4'-P energy: -53.977 tors. eta vs tors. theta energy: -59.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -945.743214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.743214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.743214 (E_RNA) where: Base-Base interactions energy: -609.963 where: short stacking energy: -278.781 Base-Backbone interact. energy: 0.118 local terms energy: -335.898266 where: bonds (distance) C4'-P energy: -74.901 bonds (distance) P-C4' energy: -70.286 flat angles C4'-P-C4' energy: -85.712 flat angles P-C4'-P energy: -50.931 tors. eta vs tors. theta energy: -54.068 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: 5 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -678.850745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.850745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.850745 (E_RNA) where: Base-Base interactions energy: -417.260 where: short stacking energy: -206.722 Base-Backbone interact. energy: -0.936 local terms energy: -260.654455 where: bonds (distance) C4'-P energy: -51.777 bonds (distance) P-C4' energy: -53.662 flat angles C4'-P-C4' energy: -78.565 flat angles P-C4'-P energy: -47.651 tors. eta vs tors. theta energy: -28.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -411.975320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.975320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.975320 (E_RNA) where: Base-Base interactions energy: -186.394 where: short stacking energy: -122.016 Base-Backbone interact. energy: -0.185 local terms energy: -225.396976 where: bonds (distance) C4'-P energy: -66.909 bonds (distance) P-C4' energy: -68.906 flat angles C4'-P-C4' energy: -58.851 flat angles P-C4'-P energy: -44.195 tors. eta vs tors. theta energy: 13.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1492.886393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.886393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.886393 (E_RNA) where: Base-Base interactions energy: -1023.552 where: short stacking energy: -450.300 Base-Backbone interact. energy: -0.924 local terms energy: -468.411006 where: bonds (distance) C4'-P energy: -81.134 bonds (distance) P-C4' energy: -82.858 flat angles C4'-P-C4' energy: -100.093 flat angles P-C4'-P energy: -66.986 tors. eta vs tors. theta energy: -137.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1413.727036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.727036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.727036 (E_RNA) where: Base-Base interactions energy: -978.734 where: short stacking energy: -409.236 Base-Backbone interact. energy: -4.847 local terms energy: -430.146497 where: bonds (distance) C4'-P energy: -82.960 bonds (distance) P-C4' energy: -82.900 flat angles C4'-P-C4' energy: -93.529 flat angles P-C4'-P energy: -64.580 tors. eta vs tors. theta energy: -106.179 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: 131 Temperature: 1.000000 Total energy: -1419.645669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.645669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.645669 (E_RNA) where: Base-Base interactions energy: -995.804 where: short stacking energy: -424.719 Base-Backbone interact. energy: -3.241 local terms energy: -420.600485 where: bonds (distance) C4'-P energy: -82.748 bonds (distance) P-C4' energy: -69.008 flat angles C4'-P-C4' energy: -86.893 flat angles P-C4'-P energy: -67.229 tors. eta vs tors. theta energy: -114.722 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: 2 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1296.588337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.588337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.588337 (E_RNA) where: Base-Base interactions energy: -872.940 where: short stacking energy: -405.309 Base-Backbone interact. energy: -1.223 local terms energy: -422.425088 where: bonds (distance) C4'-P energy: -84.084 bonds (distance) P-C4' energy: -82.481 flat angles C4'-P-C4' energy: -97.142 flat angles P-C4'-P energy: -58.384 tors. eta vs tors. theta energy: -100.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1254.098475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.098475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.098475 (E_RNA) where: Base-Base interactions energy: -857.379 where: short stacking energy: -386.334 Base-Backbone interact. energy: -0.182 local terms energy: -396.538222 where: bonds (distance) C4'-P energy: -70.788 bonds (distance) P-C4' energy: -69.760 flat angles C4'-P-C4' energy: -91.608 flat angles P-C4'-P energy: -59.045 tors. eta vs tors. theta energy: -105.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1164.206331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.206331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.206331 (E_RNA) where: Base-Base interactions energy: -795.425 where: short stacking energy: -367.014 Base-Backbone interact. energy: -1.666 local terms energy: -367.114960 where: bonds (distance) C4'-P energy: -76.768 bonds (distance) P-C4' energy: -68.141 flat angles C4'-P-C4' energy: -79.672 flat angles P-C4'-P energy: -43.514 tors. eta vs tors. theta energy: -99.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -936.815526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.815526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.815526 (E_RNA) where: Base-Base interactions energy: -621.819 where: short stacking energy: -279.210 Base-Backbone interact. energy: 2.736 local terms energy: -317.732221 where: bonds (distance) C4'-P energy: -76.264 bonds (distance) P-C4' energy: -66.608 flat angles C4'-P-C4' energy: -72.570 flat angles P-C4'-P energy: -45.807 tors. eta vs tors. theta energy: -56.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -887.197352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.197352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.197352 (E_RNA) where: Base-Base interactions energy: -596.271 where: short stacking energy: -280.381 Base-Backbone interact. energy: 4.835 local terms energy: -295.761408 where: bonds (distance) C4'-P energy: -60.065 bonds (distance) P-C4' energy: -59.482 flat angles C4'-P-C4' energy: -76.493 flat angles P-C4'-P energy: -40.682 tors. eta vs tors. theta energy: -59.039 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: 5 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -745.768468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.768468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.768468 (E_RNA) where: Base-Base interactions energy: -471.304 where: short stacking energy: -237.887 Base-Backbone interact. energy: 0.507 local terms energy: -274.971956 where: bonds (distance) C4'-P energy: -69.995 bonds (distance) P-C4' energy: -68.416 flat angles C4'-P-C4' energy: -70.214 flat angles P-C4'-P energy: -31.417 tors. eta vs tors. theta energy: -34.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -409.967229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.967229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.967229 (E_RNA) where: Base-Base interactions energy: -209.910 where: short stacking energy: -126.223 Base-Backbone interact. energy: -2.527 local terms energy: -197.529542 where: bonds (distance) C4'-P energy: -57.940 bonds (distance) P-C4' energy: -60.650 flat angles C4'-P-C4' energy: -49.889 flat angles P-C4'-P energy: -36.849 tors. eta vs tors. theta energy: 7.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1510.003580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.003580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.003580 (E_RNA) where: Base-Base interactions energy: -1056.270 where: short stacking energy: -448.121 Base-Backbone interact. energy: -1.895 local terms energy: -451.839358 where: bonds (distance) C4'-P energy: -81.323 bonds (distance) P-C4' energy: -78.601 flat angles C4'-P-C4' energy: -99.656 flat angles P-C4'-P energy: -59.318 tors. eta vs tors. theta energy: -132.941 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: 1 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -1464.494489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.494489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.494489 (E_RNA) where: Base-Base interactions energy: -1027.502 where: short stacking energy: -418.729 Base-Backbone interact. energy: -2.504 local terms energy: -434.488060 where: bonds (distance) C4'-P energy: -77.824 bonds (distance) P-C4' energy: -81.803 flat angles C4'-P-C4' energy: -96.468 flat angles P-C4'-P energy: -65.194 tors. eta vs tors. theta energy: -113.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1377.179492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.179492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.179492 (E_RNA) where: Base-Base interactions energy: -979.752 where: short stacking energy: -405.025 Base-Backbone interact. energy: -3.190 local terms energy: -394.237521 where: bonds (distance) C4'-P energy: -72.149 bonds (distance) P-C4' energy: -75.132 flat angles C4'-P-C4' energy: -92.991 flat angles P-C4'-P energy: -45.299 tors. eta vs tors. theta energy: -108.667 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: 2 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1308.029678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.029678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.029678 (E_RNA) where: Base-Base interactions energy: -887.559 where: short stacking energy: -404.736 Base-Backbone interact. energy: -0.156 local terms energy: -420.313830 where: bonds (distance) C4'-P energy: -68.814 bonds (distance) P-C4' energy: -86.629 flat angles C4'-P-C4' energy: -90.228 flat angles P-C4'-P energy: -65.570 tors. eta vs tors. theta energy: -109.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1272.055246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.055246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.055246 (E_RNA) where: Base-Base interactions energy: -889.569 where: short stacking energy: -374.332 Base-Backbone interact. energy: -1.969 local terms energy: -380.517245 where: bonds (distance) C4'-P energy: -73.170 bonds (distance) P-C4' energy: -79.371 flat angles C4'-P-C4' energy: -83.770 flat angles P-C4'-P energy: -47.445 tors. eta vs tors. theta energy: -96.761 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: 132 Temperature: 1.150000 Total energy: -1200.759468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.759468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.759468 (E_RNA) where: Base-Base interactions energy: -819.856 where: short stacking energy: -370.675 Base-Backbone interact. energy: -3.269 local terms energy: -377.635312 where: bonds (distance) C4'-P energy: -65.077 bonds (distance) P-C4' energy: -65.287 flat angles C4'-P-C4' energy: -84.889 flat angles P-C4'-P energy: -68.547 tors. eta vs tors. theta energy: -93.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -954.191085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.191085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.191085 (E_RNA) where: Base-Base interactions energy: -602.512 where: short stacking energy: -286.367 Base-Backbone interact. energy: 0.430 local terms energy: -352.109300 where: bonds (distance) C4'-P energy: -63.009 bonds (distance) P-C4' energy: -76.615 flat angles C4'-P-C4' energy: -86.480 flat angles P-C4'-P energy: -47.189 tors. eta vs tors. theta energy: -78.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -927.554143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.554143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.554143 (E_RNA) where: Base-Base interactions energy: -599.345 where: short stacking energy: -256.393 Base-Backbone interact. energy: -2.183 local terms energy: -326.026693 where: bonds (distance) C4'-P energy: -70.648 bonds (distance) P-C4' energy: -71.403 flat angles C4'-P-C4' energy: -78.334 flat angles P-C4'-P energy: -50.452 tors. eta vs tors. theta energy: -55.190 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: 9, replica: 5 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -704.117700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.117700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.117700 (E_RNA) where: Base-Base interactions energy: -443.900 where: short stacking energy: -204.949 Base-Backbone interact. energy: -1.678 local terms energy: -258.539299 where: bonds (distance) C4'-P energy: -59.658 bonds (distance) P-C4' energy: -67.727 flat angles C4'-P-C4' energy: -66.571 flat angles P-C4'-P energy: -34.909 tors. eta vs tors. theta energy: -29.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -403.413218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.413218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.413218 (E_RNA) where: Base-Base interactions energy: -187.030 where: short stacking energy: -125.010 Base-Backbone interact. energy: 6.874 local terms energy: -223.257274 where: bonds (distance) C4'-P energy: -75.356 bonds (distance) P-C4' energy: -60.514 flat angles C4'-P-C4' energy: -54.492 flat angles P-C4'-P energy: -27.026 tors. eta vs tors. theta energy: -5.869 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: 1, replica: 10 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1531.685532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.685532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.685532 (E_RNA) where: Base-Base interactions energy: -1084.516 where: short stacking energy: -462.201 Base-Backbone interact. energy: 2.561 local terms energy: -449.730740 where: bonds (distance) C4'-P energy: -76.747 bonds (distance) P-C4' energy: -85.941 flat angles C4'-P-C4' energy: -102.229 flat angles P-C4'-P energy: -50.958 tors. eta vs tors. theta energy: -133.855 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: 1 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1451.881538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.881538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.881538 (E_RNA) where: Base-Base interactions energy: -1035.752 where: short stacking energy: -428.519 Base-Backbone interact. energy: -2.518 local terms energy: -413.611027 where: bonds (distance) C4'-P energy: -84.357 bonds (distance) P-C4' energy: -79.612 flat angles C4'-P-C4' energy: -88.656 flat angles P-C4'-P energy: -56.917 tors. eta vs tors. theta energy: -104.068 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: 3, replica: 6 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1359.049787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.049787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.049787 (E_RNA) where: Base-Base interactions energy: -945.457 where: short stacking energy: -397.327 Base-Backbone interact. energy: -1.613 local terms energy: -411.980244 where: bonds (distance) C4'-P energy: -83.150 bonds (distance) P-C4' energy: -85.120 flat angles C4'-P-C4' energy: -84.517 flat angles P-C4'-P energy: -62.144 tors. eta vs tors. theta energy: -97.049 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: 4, replica: 2 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1291.986161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.986161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.986161 (E_RNA) where: Base-Base interactions energy: -885.699 where: short stacking energy: -385.400 Base-Backbone interact. energy: -1.781 local terms energy: -404.506747 where: bonds (distance) C4'-P energy: -77.547 bonds (distance) P-C4' energy: -76.986 flat angles C4'-P-C4' energy: -85.546 flat angles P-C4'-P energy: -62.185 tors. eta vs tors. theta energy: -102.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1280.841782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.841782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.841782 (E_RNA) where: Base-Base interactions energy: -897.466 where: short stacking energy: -401.062 Base-Backbone interact. energy: -0.606 local terms energy: -382.769368 where: bonds (distance) C4'-P energy: -73.090 bonds (distance) P-C4' energy: -72.143 flat angles C4'-P-C4' energy: -79.252 flat angles P-C4'-P energy: -58.766 tors. eta vs tors. theta energy: -99.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1249.900170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.900170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.900170 (E_RNA) where: Base-Base interactions energy: -859.675 where: short stacking energy: -372.851 Base-Backbone interact. energy: -0.833 local terms energy: -389.392133 where: bonds (distance) C4'-P energy: -65.636 bonds (distance) P-C4' energy: -68.307 flat angles C4'-P-C4' energy: -92.278 flat angles P-C4'-P energy: -60.590 tors. eta vs tors. theta energy: -102.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -951.317772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.317772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.317772 (E_RNA) where: Base-Base interactions energy: -646.628 where: short stacking energy: -293.223 Base-Backbone interact. energy: 2.333 local terms energy: -307.023039 where: bonds (distance) C4'-P energy: -72.328 bonds (distance) P-C4' energy: -57.560 flat angles C4'-P-C4' energy: -69.130 flat angles P-C4'-P energy: -50.125 tors. eta vs tors. theta energy: -57.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -882.942075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.942075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.942075 (E_RNA) where: Base-Base interactions energy: -569.104 where: short stacking energy: -257.508 Base-Backbone interact. energy: 0.061 local terms energy: -313.899173 where: bonds (distance) C4'-P energy: -82.987 bonds (distance) P-C4' energy: -70.753 flat angles C4'-P-C4' energy: -76.846 flat angles P-C4'-P energy: -38.969 tors. eta vs tors. theta energy: -44.343 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: 5 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -706.960593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.960593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.960593 (E_RNA) where: Base-Base interactions energy: -435.595 where: short stacking energy: -225.964 Base-Backbone interact. energy: 1.412 local terms energy: -272.777907 where: bonds (distance) C4'-P energy: -56.112 bonds (distance) P-C4' energy: -60.024 flat angles C4'-P-C4' energy: -73.590 flat angles P-C4'-P energy: -42.377 tors. eta vs tors. theta energy: -40.675 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: 4 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -444.405304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.405304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.405304 (E_RNA) where: Base-Base interactions energy: -211.861 where: short stacking energy: -128.399 Base-Backbone interact. energy: 7.945 local terms energy: -240.489973 where: bonds (distance) C4'-P energy: -62.028 bonds (distance) P-C4' energy: -79.255 flat angles C4'-P-C4' energy: -59.828 flat angles P-C4'-P energy: -34.050 tors. eta vs tors. theta energy: -5.328 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: 10 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1479.100163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.100163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.100163 (E_RNA) where: Base-Base interactions energy: -1021.430 where: short stacking energy: -426.470 Base-Backbone interact. energy: -3.906 local terms energy: -453.764346 where: bonds (distance) C4'-P energy: -85.784 bonds (distance) P-C4' energy: -85.296 flat angles C4'-P-C4' energy: -93.172 flat angles P-C4'-P energy: -63.507 tors. eta vs tors. theta energy: -126.006 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: 1 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1427.146675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.146675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.146675 (E_RNA) where: Base-Base interactions energy: -996.815 where: short stacking energy: -423.880 Base-Backbone interact. energy: 1.970 local terms energy: -432.302046 where: bonds (distance) C4'-P energy: -88.864 bonds (distance) P-C4' energy: -86.357 flat angles C4'-P-C4' energy: -85.551 flat angles P-C4'-P energy: -60.330 tors. eta vs tors. theta energy: -111.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1387.053847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.053847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.053847 (E_RNA) where: Base-Base interactions energy: -972.191 where: short stacking energy: -391.873 Base-Backbone interact. energy: 0.986 local terms energy: -415.848721 where: bonds (distance) C4'-P energy: -81.638 bonds (distance) P-C4' energy: -80.494 flat angles C4'-P-C4' energy: -92.488 flat angles P-C4'-P energy: -52.213 tors. eta vs tors. theta energy: -109.016 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: 2 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1306.719414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.719414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.719414 (E_RNA) where: Base-Base interactions energy: -910.384 where: short stacking energy: -390.596 Base-Backbone interact. energy: -3.891 local terms energy: -392.443994 where: bonds (distance) C4'-P energy: -74.564 bonds (distance) P-C4' energy: -88.343 flat angles C4'-P-C4' energy: -76.560 flat angles P-C4'-P energy: -57.409 tors. eta vs tors. theta energy: -95.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1297.403634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.403634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.403634 (E_RNA) where: Base-Base interactions energy: -899.005 where: short stacking energy: -398.196 Base-Backbone interact. energy: -0.980 local terms energy: -397.418427 where: bonds (distance) C4'-P energy: -79.077 bonds (distance) P-C4' energy: -77.991 flat angles C4'-P-C4' energy: -83.245 flat angles P-C4'-P energy: -53.391 tors. eta vs tors. theta energy: -103.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1207.193932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.193932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.193932 (E_RNA) where: Base-Base interactions energy: -865.727 where: short stacking energy: -370.352 Base-Backbone interact. energy: -0.111 local terms energy: -341.356168 where: bonds (distance) C4'-P energy: -60.388 bonds (distance) P-C4' energy: -55.915 flat angles C4'-P-C4' energy: -82.121 flat angles P-C4'-P energy: -42.033 tors. eta vs tors. theta energy: -100.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -955.629209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.629209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.629209 (E_RNA) where: Base-Base interactions energy: -638.963 where: short stacking energy: -288.837 Base-Backbone interact. energy: 1.575 local terms energy: -318.241371 where: bonds (distance) C4'-P energy: -57.778 bonds (distance) P-C4' energy: -66.590 flat angles C4'-P-C4' energy: -74.958 flat angles P-C4'-P energy: -48.328 tors. eta vs tors. theta energy: -70.588 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: 8, replica: 9 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -919.839529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.839529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.839529 (E_RNA) where: Base-Base interactions energy: -585.033 where: short stacking energy: -246.747 Base-Backbone interact. energy: -3.348 local terms energy: -331.458686 where: bonds (distance) C4'-P energy: -79.004 bonds (distance) P-C4' energy: -76.301 flat angles C4'-P-C4' energy: -74.855 flat angles P-C4'-P energy: -46.814 tors. eta vs tors. theta energy: -54.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -736.454429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.454429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.454429 (E_RNA) where: Base-Base interactions energy: -474.389 where: short stacking energy: -229.299 Base-Backbone interact. energy: 1.580 local terms energy: -263.645371 where: bonds (distance) C4'-P energy: -71.138 bonds (distance) P-C4' energy: -67.555 flat angles C4'-P-C4' energy: -59.319 flat angles P-C4'-P energy: -33.412 tors. eta vs tors. theta energy: -32.221 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: 4 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -442.063924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.063924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.063924 (E_RNA) where: Base-Base interactions energy: -227.971 where: short stacking energy: -140.476 Base-Backbone interact. energy: 0.345 local terms energy: -214.437456 where: bonds (distance) C4'-P energy: -67.165 bonds (distance) P-C4' energy: -58.535 flat angles C4'-P-C4' energy: -60.310 flat angles P-C4'-P energy: -30.105 tors. eta vs tors. theta energy: 1.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1501.636684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.636684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.636684 (E_RNA) where: Base-Base interactions energy: -1045.531 where: short stacking energy: -448.424 Base-Backbone interact. energy: -2.451 local terms energy: -453.654399 where: bonds (distance) C4'-P energy: -78.294 bonds (distance) P-C4' energy: -76.059 flat angles C4'-P-C4' energy: -97.319 flat angles P-C4'-P energy: -64.811 tors. eta vs tors. theta energy: -137.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1450.330422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.330422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.330422 (E_RNA) where: Base-Base interactions energy: -994.338 where: short stacking energy: -394.577 Base-Backbone interact. energy: -3.459 local terms energy: -452.533338 where: bonds (distance) C4'-P energy: -99.638 bonds (distance) P-C4' energy: -90.705 flat angles C4'-P-C4' energy: -90.293 flat angles P-C4'-P energy: -59.798 tors. eta vs tors. theta energy: -112.099 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: 3, replica: 6 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1369.700895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.700895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.700895 (E_RNA) where: Base-Base interactions energy: -993.331 where: short stacking energy: -389.895 Base-Backbone interact. energy: -2.755 local terms energy: -373.615225 where: bonds (distance) C4'-P energy: -71.648 bonds (distance) P-C4' energy: -80.140 flat angles C4'-P-C4' energy: -72.189 flat angles P-C4'-P energy: -45.231 tors. eta vs tors. theta energy: -104.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1283.043150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.043150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.043150 (E_RNA) where: Base-Base interactions energy: -874.304 where: short stacking energy: -393.729 Base-Backbone interact. energy: -2.610 local terms energy: -406.129187 where: bonds (distance) C4'-P energy: -68.997 bonds (distance) P-C4' energy: -80.758 flat angles C4'-P-C4' energy: -92.735 flat angles P-C4'-P energy: -53.442 tors. eta vs tors. theta energy: -110.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1267.267072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.267072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.267072 (E_RNA) where: Base-Base interactions energy: -889.802 where: short stacking energy: -374.697 Base-Backbone interact. energy: -1.629 local terms energy: -375.835259 where: bonds (distance) C4'-P energy: -75.374 bonds (distance) P-C4' energy: -69.520 flat angles C4'-P-C4' energy: -78.449 flat angles P-C4'-P energy: -55.838 tors. eta vs tors. theta energy: -96.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1256.351571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.351571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.351571 (E_RNA) where: Base-Base interactions energy: -852.688 where: short stacking energy: -365.896 Base-Backbone interact. energy: -0.615 local terms energy: -403.048361 where: bonds (distance) C4'-P energy: -76.843 bonds (distance) P-C4' energy: -82.433 flat angles C4'-P-C4' energy: -82.789 flat angles P-C4'-P energy: -53.247 tors. eta vs tors. theta energy: -107.736 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: 3 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -927.710112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.710112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.710112 (E_RNA) where: Base-Base interactions energy: -589.499 where: short stacking energy: -281.648 Base-Backbone interact. energy: -0.458 local terms energy: -337.752967 where: bonds (distance) C4'-P energy: -72.629 bonds (distance) P-C4' energy: -77.591 flat angles C4'-P-C4' energy: -64.722 flat angles P-C4'-P energy: -59.142 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: 9 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -910.928227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.928227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.928227 (E_RNA) where: Base-Base interactions energy: -579.620 where: short stacking energy: -289.401 Base-Backbone interact. energy: -3.365 local terms energy: -327.943135 where: bonds (distance) C4'-P energy: -72.690 bonds (distance) P-C4' energy: -62.580 flat angles C4'-P-C4' energy: -64.466 flat angles P-C4'-P energy: -61.618 tors. eta vs tors. theta energy: -66.589 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: 5 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -772.344523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.344523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.344523 (E_RNA) where: Base-Base interactions energy: -496.707 where: short stacking energy: -244.893 Base-Backbone interact. energy: 1.810 local terms energy: -277.447391 where: bonds (distance) C4'-P energy: -67.198 bonds (distance) P-C4' energy: -51.787 flat angles C4'-P-C4' energy: -73.041 flat angles P-C4'-P energy: -37.331 tors. eta vs tors. theta energy: -48.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -338.410777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.410777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.410777 (E_RNA) where: Base-Base interactions energy: -120.076 where: short stacking energy: -95.718 Base-Backbone interact. energy: -1.265 local terms energy: -217.069692 where: bonds (distance) C4'-P energy: -73.298 bonds (distance) P-C4' energy: -70.380 flat angles C4'-P-C4' energy: -55.677 flat angles P-C4'-P energy: -37.500 tors. eta vs tors. theta energy: 19.785 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: 1, replica: 10 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1484.249787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.249787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.249787 (E_RNA) where: Base-Base interactions energy: -1032.974 where: short stacking energy: -427.796 Base-Backbone interact. energy: -0.431 local terms energy: -450.844031 where: bonds (distance) C4'-P energy: -78.665 bonds (distance) P-C4' energy: -89.093 flat angles C4'-P-C4' energy: -90.210 flat angles P-C4'-P energy: -62.837 tors. eta vs tors. theta energy: -130.039 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: 1 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1408.286344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.286344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.286344 (E_RNA) where: Base-Base interactions energy: -995.098 where: short stacking energy: -405.601 Base-Backbone interact. energy: -0.462 local terms energy: -412.726078 where: bonds (distance) C4'-P energy: -86.440 bonds (distance) P-C4' energy: -76.184 flat angles C4'-P-C4' energy: -87.268 flat angles P-C4'-P energy: -68.518 tors. eta vs tors. theta energy: -94.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1391.478871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.478871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.478871 (E_RNA) where: Base-Base interactions energy: -989.723 where: short stacking energy: -393.555 Base-Backbone interact. energy: 3.749 local terms energy: -405.504761 where: bonds (distance) C4'-P energy: -76.611 bonds (distance) P-C4' energy: -75.714 flat angles C4'-P-C4' energy: -89.948 flat angles P-C4'-P energy: -55.290 tors. eta vs tors. theta energy: -107.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1270.029480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.029480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.029480 (E_RNA) where: Base-Base interactions energy: -866.735 where: short stacking energy: -403.403 Base-Backbone interact. energy: 0.726 local terms energy: -404.020670 where: bonds (distance) C4'-P energy: -79.131 bonds (distance) P-C4' energy: -76.457 flat angles C4'-P-C4' energy: -77.348 flat angles P-C4'-P energy: -60.267 tors. eta vs tors. theta energy: -110.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1281.358628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.358628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.358628 (E_RNA) where: Base-Base interactions energy: -865.446 where: short stacking energy: -393.899 Base-Backbone interact. energy: -3.167 local terms energy: -412.746376 where: bonds (distance) C4'-P energy: -71.886 bonds (distance) P-C4' energy: -79.799 flat angles C4'-P-C4' energy: -94.565 flat angles P-C4'-P energy: -56.122 tors. eta vs tors. theta energy: -110.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1200.700123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.700123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.700123 (E_RNA) where: Base-Base interactions energy: -827.074 where: short stacking energy: -360.815 Base-Backbone interact. energy: -0.854 local terms energy: -372.772434 where: bonds (distance) C4'-P energy: -63.046 bonds (distance) P-C4' energy: -79.641 flat angles C4'-P-C4' energy: -85.382 flat angles P-C4'-P energy: -48.376 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: 7, replica: 9 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -921.846508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.846508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.846508 (E_RNA) where: Base-Base interactions energy: -584.068 where: short stacking energy: -242.708 Base-Backbone interact. energy: -1.128 local terms energy: -336.651059 where: bonds (distance) C4'-P energy: -84.735 bonds (distance) P-C4' energy: -77.395 flat angles C4'-P-C4' energy: -82.193 flat angles P-C4'-P energy: -57.731 tors. eta vs tors. theta energy: -34.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -888.921938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.921938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.921938 (E_RNA) where: Base-Base interactions energy: -578.832 where: short stacking energy: -271.668 Base-Backbone interact. energy: 1.494 local terms energy: -311.584078 where: bonds (distance) C4'-P energy: -64.983 bonds (distance) P-C4' energy: -76.120 flat angles C4'-P-C4' energy: -72.097 flat angles P-C4'-P energy: -37.669 tors. eta vs tors. theta energy: -60.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -682.373031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.373031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.373031 (E_RNA) where: Base-Base interactions energy: -406.873 where: short stacking energy: -197.926 Base-Backbone interact. energy: -1.406 local terms energy: -274.094473 where: bonds (distance) C4'-P energy: -56.524 bonds (distance) P-C4' energy: -66.077 flat angles C4'-P-C4' energy: -74.836 flat angles P-C4'-P energy: -43.890 tors. eta vs tors. theta energy: -32.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -407.082292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.082292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.082292 (E_RNA) where: Base-Base interactions energy: -178.339 where: short stacking energy: -108.759 Base-Backbone interact. energy: 0.055 local terms energy: -228.797682 where: bonds (distance) C4'-P energy: -63.427 bonds (distance) P-C4' energy: -79.758 flat angles C4'-P-C4' energy: -58.186 flat angles P-C4'-P energy: -45.459 tors. eta vs tors. theta energy: 18.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1499.958228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.958228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.958228 (E_RNA) where: Base-Base interactions energy: -1047.515 where: short stacking energy: -465.429 Base-Backbone interact. energy: 1.686 local terms energy: -454.128536 where: bonds (distance) C4'-P energy: -74.065 bonds (distance) P-C4' energy: -86.135 flat angles C4'-P-C4' energy: -94.038 flat angles P-C4'-P energy: -67.288 tors. eta vs tors. theta energy: -132.602 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: 1 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1427.324657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.324657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.324657 (E_RNA) where: Base-Base interactions energy: -981.566 where: short stacking energy: -408.702 Base-Backbone interact. energy: -1.524 local terms energy: -444.235286 where: bonds (distance) C4'-P energy: -92.700 bonds (distance) P-C4' energy: -90.086 flat angles C4'-P-C4' energy: -97.724 flat angles P-C4'-P energy: -57.503 tors. eta vs tors. theta energy: -106.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1381.928091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.928091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.928091 (E_RNA) where: Base-Base interactions energy: -966.160 where: short stacking energy: -410.056 Base-Backbone interact. energy: -3.035 local terms energy: -412.733454 where: bonds (distance) C4'-P energy: -76.674 bonds (distance) P-C4' energy: -80.738 flat angles C4'-P-C4' energy: -86.250 flat angles P-C4'-P energy: -62.707 tors. eta vs tors. theta energy: -106.365 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: 4, replica: 8 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1328.293239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.293239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.293239 (E_RNA) where: Base-Base interactions energy: -926.732 where: short stacking energy: -417.661 Base-Backbone interact. energy: -0.155 local terms energy: -401.407057 where: bonds (distance) C4'-P energy: -67.565 bonds (distance) P-C4' energy: -80.921 flat angles C4'-P-C4' energy: -82.046 flat angles P-C4'-P energy: -60.502 tors. eta vs tors. theta energy: -110.373 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: 7 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1276.865156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.865156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.865156 (E_RNA) where: Base-Base interactions energy: -887.651 where: short stacking energy: -388.205 Base-Backbone interact. energy: -0.431 local terms energy: -388.782626 where: bonds (distance) C4'-P energy: -78.114 bonds (distance) P-C4' energy: -77.004 flat angles C4'-P-C4' energy: -81.426 flat angles P-C4'-P energy: -54.269 tors. eta vs tors. theta energy: -97.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1207.863112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.863112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.863112 (E_RNA) where: Base-Base interactions energy: -812.867 where: short stacking energy: -357.193 Base-Backbone interact. energy: -0.149 local terms energy: -394.847810 where: bonds (distance) C4'-P energy: -86.630 bonds (distance) P-C4' energy: -75.777 flat angles C4'-P-C4' energy: -83.347 flat angles P-C4'-P energy: -58.328 tors. eta vs tors. theta energy: -90.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -930.317825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.317825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.317825 (E_RNA) where: Base-Base interactions energy: -596.246 where: short stacking energy: -269.138 Base-Backbone interact. energy: -1.086 local terms energy: -332.986011 where: bonds (distance) C4'-P energy: -63.994 bonds (distance) P-C4' energy: -83.168 flat angles C4'-P-C4' energy: -76.761 flat angles P-C4'-P energy: -47.595 tors. eta vs tors. theta energy: -61.468 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: 3 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -855.923807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.923807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.923807 (E_RNA) where: Base-Base interactions energy: -564.741 where: short stacking energy: -258.821 Base-Backbone interact. energy: 1.975 local terms energy: -293.156876 where: bonds (distance) C4'-P energy: -76.023 bonds (distance) P-C4' energy: -71.975 flat angles C4'-P-C4' energy: -73.539 flat angles P-C4'-P energy: -29.922 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: 9, replica: 5 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -672.481245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.481245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.481245 (E_RNA) where: Base-Base interactions energy: -395.336 where: short stacking energy: -198.070 Base-Backbone interact. energy: -0.828 local terms energy: -276.316727 where: bonds (distance) C4'-P energy: -74.493 bonds (distance) P-C4' energy: -76.276 flat angles C4'-P-C4' energy: -69.179 flat angles P-C4'-P energy: -29.998 tors. eta vs tors. theta energy: -26.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -418.932867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.932867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.932867 (E_RNA) where: Base-Base interactions energy: -215.083 where: short stacking energy: -107.238 Base-Backbone interact. energy: 1.179 local terms energy: -205.028214 where: bonds (distance) C4'-P energy: -63.116 bonds (distance) P-C4' energy: -73.759 flat angles C4'-P-C4' energy: -47.576 flat angles P-C4'-P energy: -35.179 tors. eta vs tors. theta energy: 14.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1506.592540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.592540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.592540 (E_RNA) where: Base-Base interactions energy: -1054.767 where: short stacking energy: -452.508 Base-Backbone interact. energy: -3.185 local terms energy: -448.639933 where: bonds (distance) C4'-P energy: -67.674 bonds (distance) P-C4' energy: -91.628 flat angles C4'-P-C4' energy: -99.715 flat angles P-C4'-P energy: -59.466 tors. eta vs tors. theta energy: -130.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1437.166379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.166379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.166379 (E_RNA) where: Base-Base interactions energy: -1004.005 where: short stacking energy: -421.204 Base-Backbone interact. energy: -4.393 local terms energy: -428.768514 where: bonds (distance) C4'-P energy: -74.284 bonds (distance) P-C4' energy: -77.781 flat angles C4'-P-C4' energy: -91.908 flat angles P-C4'-P energy: -70.999 tors. eta vs tors. theta energy: -113.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1399.111790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.111790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.111790 (E_RNA) where: Base-Base interactions energy: -979.180 where: short stacking energy: -403.269 Base-Backbone interact. energy: 0.772 local terms energy: -420.703880 where: bonds (distance) C4'-P energy: -75.032 bonds (distance) P-C4' energy: -81.040 flat angles C4'-P-C4' energy: -88.154 flat angles P-C4'-P energy: -63.466 tors. eta vs tors. theta energy: -113.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1280.729140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.729140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.729140 (E_RNA) where: Base-Base interactions energy: -890.882 where: short stacking energy: -383.723 Base-Backbone interact. energy: 1.737 local terms energy: -391.584290 where: bonds (distance) C4'-P energy: -81.564 bonds (distance) P-C4' energy: -65.107 flat angles C4'-P-C4' energy: -92.317 flat angles P-C4'-P energy: -55.892 tors. eta vs tors. theta energy: -96.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1298.436204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.436204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.436204 (E_RNA) where: Base-Base interactions energy: -887.672 where: short stacking energy: -382.100 Base-Backbone interact. energy: -2.197 local terms energy: -408.568022 where: bonds (distance) C4'-P energy: -74.946 bonds (distance) P-C4' energy: -87.467 flat angles C4'-P-C4' energy: -80.398 flat angles P-C4'-P energy: -62.356 tors. eta vs tors. theta energy: -103.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1233.892435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.892435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.892435 (E_RNA) where: Base-Base interactions energy: -858.030 where: short stacking energy: -379.800 Base-Backbone interact. energy: -0.636 local terms energy: -375.226438 where: bonds (distance) C4'-P energy: -66.768 bonds (distance) P-C4' energy: -70.490 flat angles C4'-P-C4' energy: -72.457 flat angles P-C4'-P energy: -60.839 tors. eta vs tors. theta energy: -104.672 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: 9 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -971.909579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.909579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.909579 (E_RNA) where: Base-Base interactions energy: -639.886 where: short stacking energy: -288.730 Base-Backbone interact. energy: -0.212 local terms energy: -331.811740 where: bonds (distance) C4'-P energy: -69.233 bonds (distance) P-C4' energy: -76.026 flat angles C4'-P-C4' energy: -69.511 flat angles P-C4'-P energy: -47.671 tors. eta vs tors. theta energy: -69.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -843.283326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.283326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.283326 (E_RNA) where: Base-Base interactions energy: -556.314 where: short stacking energy: -231.893 Base-Backbone interact. energy: 0.538 local terms energy: -287.507510 where: bonds (distance) C4'-P energy: -73.761 bonds (distance) P-C4' energy: -71.106 flat angles C4'-P-C4' energy: -79.511 flat angles P-C4'-P energy: -22.647 tors. eta vs tors. theta energy: -40.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -632.411531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.411531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.411531 (E_RNA) where: Base-Base interactions energy: -366.659 where: short stacking energy: -201.148 Base-Backbone interact. energy: -1.382 local terms energy: -264.370263 where: bonds (distance) C4'-P energy: -76.534 bonds (distance) P-C4' energy: -66.227 flat angles C4'-P-C4' energy: -64.074 flat angles P-C4'-P energy: -33.688 tors. eta vs tors. theta energy: -23.848 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: 4 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -418.783995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.783995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.783995 (E_RNA) where: Base-Base interactions energy: -227.048 where: short stacking energy: -123.707 Base-Backbone interact. energy: 4.472 local terms energy: -196.207231 where: bonds (distance) C4'-P energy: -70.894 bonds (distance) P-C4' energy: -48.274 flat angles C4'-P-C4' energy: -66.275 flat angles P-C4'-P energy: -19.744 tors. eta vs tors. theta energy: 8.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1514.677990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.677990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.677990 (E_RNA) where: Base-Base interactions energy: -1034.325 where: short stacking energy: -452.806 Base-Backbone interact. energy: -2.391 local terms energy: -477.962160 where: bonds (distance) C4'-P energy: -84.234 bonds (distance) P-C4' energy: -96.148 flat angles C4'-P-C4' energy: -100.034 flat angles P-C4'-P energy: -69.363 tors. eta vs tors. theta energy: -128.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1413.603832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.603832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.603832 (E_RNA) where: Base-Base interactions energy: -981.662 where: short stacking energy: -402.933 Base-Backbone interact. energy: -1.949 local terms energy: -429.992799 where: bonds (distance) C4'-P energy: -80.743 bonds (distance) P-C4' energy: -76.968 flat angles C4'-P-C4' energy: -96.723 flat angles P-C4'-P energy: -58.140 tors. eta vs tors. theta energy: -117.418 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: 3, replica: 1 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1397.997057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.997057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.997057 (E_RNA) where: Base-Base interactions energy: -982.540 where: short stacking energy: -390.073 Base-Backbone interact. energy: -1.801 local terms energy: -413.655721 where: bonds (distance) C4'-P energy: -87.439 bonds (distance) P-C4' energy: -74.028 flat angles C4'-P-C4' energy: -86.225 flat angles P-C4'-P energy: -64.305 tors. eta vs tors. theta energy: -101.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1297.438325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.438325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.438325 (E_RNA) where: Base-Base interactions energy: -889.040 where: short stacking energy: -389.578 Base-Backbone interact. energy: -0.523 local terms energy: -407.875556 where: bonds (distance) C4'-P energy: -72.945 bonds (distance) P-C4' energy: -84.925 flat angles C4'-P-C4' energy: -91.676 flat angles P-C4'-P energy: -57.042 tors. eta vs tors. theta energy: -101.287 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: 7 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1259.098187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.098187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.098187 (E_RNA) where: Base-Base interactions energy: -848.215 where: short stacking energy: -356.828 Base-Backbone interact. energy: -2.158 local terms energy: -408.725331 where: bonds (distance) C4'-P energy: -83.027 bonds (distance) P-C4' energy: -85.797 flat angles C4'-P-C4' energy: -81.194 flat angles P-C4'-P energy: -56.101 tors. eta vs tors. theta energy: -102.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1276.269473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.269473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.269473 (E_RNA) where: Base-Base interactions energy: -876.690 where: short stacking energy: -387.436 Base-Backbone interact. energy: -1.412 local terms energy: -398.167577 where: bonds (distance) C4'-P energy: -76.146 bonds (distance) P-C4' energy: -70.185 flat angles C4'-P-C4' energy: -83.067 flat angles P-C4'-P energy: -67.226 tors. eta vs tors. theta energy: -101.544 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: 7, replica: 9 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -965.622395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.622395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.622395 (E_RNA) where: Base-Base interactions energy: -625.969 where: short stacking energy: -311.365 Base-Backbone interact. energy: 0.521 local terms energy: -340.173641 where: bonds (distance) C4'-P energy: -76.250 bonds (distance) P-C4' energy: -54.076 flat angles C4'-P-C4' energy: -77.923 flat angles P-C4'-P energy: -48.167 tors. eta vs tors. theta energy: -83.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -854.963987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.963987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.963987 (E_RNA) where: Base-Base interactions energy: -566.591 where: short stacking energy: -241.060 Base-Backbone interact. energy: 3.357 local terms energy: -291.729742 where: bonds (distance) C4'-P energy: -62.009 bonds (distance) P-C4' energy: -85.199 flat angles C4'-P-C4' energy: -73.656 flat angles P-C4'-P energy: -38.509 tors. eta vs tors. theta energy: -32.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -672.578942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.578942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.578942 (E_RNA) where: Base-Base interactions energy: -428.668 where: short stacking energy: -213.509 Base-Backbone interact. energy: -1.248 local terms energy: -242.663530 where: bonds (distance) C4'-P energy: -60.864 bonds (distance) P-C4' energy: -78.104 flat angles C4'-P-C4' energy: -47.264 flat angles P-C4'-P energy: -26.458 tors. eta vs tors. theta energy: -29.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -458.800169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.800169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.800169 (E_RNA) where: Base-Base interactions energy: -214.139 where: short stacking energy: -131.702 Base-Backbone interact. energy: -2.007 local terms energy: -242.654382 where: bonds (distance) C4'-P energy: -71.830 bonds (distance) P-C4' energy: -74.002 flat angles C4'-P-C4' energy: -58.421 flat angles P-C4'-P energy: -36.806 tors. eta vs tors. theta energy: -1.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1506.401239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.401239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.401239 (E_RNA) where: Base-Base interactions energy: -1046.581 where: short stacking energy: -424.398 Base-Backbone interact. energy: -0.896 local terms energy: -458.924077 where: bonds (distance) C4'-P energy: -80.703 bonds (distance) P-C4' energy: -82.740 flat angles C4'-P-C4' energy: -97.436 flat angles P-C4'-P energy: -69.550 tors. eta vs tors. theta energy: -128.495 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: 6 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1449.063342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.063342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.063342 (E_RNA) where: Base-Base interactions energy: -1010.629 where: short stacking energy: -434.310 Base-Backbone interact. energy: -1.153 local terms energy: -437.280505 where: bonds (distance) C4'-P energy: -84.633 bonds (distance) P-C4' energy: -84.292 flat angles C4'-P-C4' energy: -94.252 flat angles P-C4'-P energy: -54.273 tors. eta vs tors. theta energy: -119.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1378.648960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.648960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.648960 (E_RNA) where: Base-Base interactions energy: -969.730 where: short stacking energy: -384.996 Base-Backbone interact. energy: -1.395 local terms energy: -407.523481 where: bonds (distance) C4'-P energy: -78.039 bonds (distance) P-C4' energy: -77.138 flat angles C4'-P-C4' energy: -88.071 flat angles P-C4'-P energy: -67.923 tors. eta vs tors. theta energy: -96.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1294.242980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.242980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.242980 (E_RNA) where: Base-Base interactions energy: -887.055 where: short stacking energy: -401.058 Base-Backbone interact. energy: -1.287 local terms energy: -405.900858 where: bonds (distance) C4'-P energy: -85.488 bonds (distance) P-C4' energy: -77.095 flat angles C4'-P-C4' energy: -80.092 flat angles P-C4'-P energy: -55.233 tors. eta vs tors. theta energy: -107.993 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: 7 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1271.569395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.569395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.569395 (E_RNA) where: Base-Base interactions energy: -869.747 where: short stacking energy: -388.885 Base-Backbone interact. energy: -1.638 local terms energy: -400.184627 where: bonds (distance) C4'-P energy: -70.284 bonds (distance) P-C4' energy: -81.615 flat angles C4'-P-C4' energy: -86.204 flat angles P-C4'-P energy: -59.237 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: 6, replica: 2 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1227.543781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.543781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.543781 (E_RNA) where: Base-Base interactions energy: -841.062 where: short stacking energy: -357.164 Base-Backbone interact. energy: -1.629 local terms energy: -384.853113 where: bonds (distance) C4'-P energy: -80.887 bonds (distance) P-C4' energy: -81.939 flat angles C4'-P-C4' energy: -86.331 flat angles P-C4'-P energy: -49.728 tors. eta vs tors. theta energy: -85.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -903.079367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.079367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.079367 (E_RNA) where: Base-Base interactions energy: -596.453 where: short stacking energy: -253.073 Base-Backbone interact. energy: -2.158 local terms energy: -304.468243 where: bonds (distance) C4'-P energy: -62.707 bonds (distance) P-C4' energy: -84.352 flat angles C4'-P-C4' energy: -70.608 flat angles P-C4'-P energy: -38.617 tors. eta vs tors. theta energy: -48.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -922.591539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.591539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.591539 (E_RNA) where: Base-Base interactions energy: -590.124 where: short stacking energy: -269.435 Base-Backbone interact. energy: 3.954 local terms energy: -336.421707 where: bonds (distance) C4'-P energy: -69.519 bonds (distance) P-C4' energy: -78.544 flat angles C4'-P-C4' energy: -80.920 flat angles P-C4'-P energy: -48.824 tors. eta vs tors. theta energy: -58.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -711.062201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.062201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.062201 (E_RNA) where: Base-Base interactions energy: -438.243 where: short stacking energy: -213.343 Base-Backbone interact. energy: 0.733 local terms energy: -273.551992 where: bonds (distance) C4'-P energy: -59.529 bonds (distance) P-C4' energy: -65.531 flat angles C4'-P-C4' energy: -70.721 flat angles P-C4'-P energy: -39.432 tors. eta vs tors. theta energy: -38.339 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: 4 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -452.758954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.758954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.758954 (E_RNA) where: Base-Base interactions energy: -259.880 where: short stacking energy: -182.742 Base-Backbone interact. energy: -1.861 local terms energy: -191.018333 where: bonds (distance) C4'-P energy: -50.254 bonds (distance) P-C4' energy: -60.328 flat angles C4'-P-C4' energy: -43.374 flat angles P-C4'-P energy: -27.000 tors. eta vs tors. theta energy: -10.063 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: 141 Temperature: 0.900000 Total energy: -1511.333899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.333899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.333899 (E_RNA) where: Base-Base interactions energy: -1064.074 where: short stacking energy: -440.420 Base-Backbone interact. energy: -1.065 local terms energy: -446.194684 where: bonds (distance) C4'-P energy: -78.916 bonds (distance) P-C4' energy: -86.491 flat angles C4'-P-C4' energy: -90.337 flat angles P-C4'-P energy: -62.809 tors. eta vs tors. theta energy: -127.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1428.528312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.528312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.528312 (E_RNA) where: Base-Base interactions energy: -996.989 where: short stacking energy: -400.587 Base-Backbone interact. energy: -4.202 local terms energy: -427.336822 where: bonds (distance) C4'-P energy: -83.939 bonds (distance) P-C4' energy: -87.216 flat angles C4'-P-C4' energy: -90.850 flat angles P-C4'-P energy: -71.718 tors. eta vs tors. theta energy: -93.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1392.846554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.846554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.846554 (E_RNA) where: Base-Base interactions energy: -964.829 where: short stacking energy: -419.804 Base-Backbone interact. energy: -1.099 local terms energy: -426.917733 where: bonds (distance) C4'-P energy: -82.974 bonds (distance) P-C4' energy: -79.962 flat angles C4'-P-C4' energy: -91.276 flat angles P-C4'-P energy: -55.134 tors. eta vs tors. theta energy: -117.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1276.622726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.622726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.622726 (E_RNA) where: Base-Base interactions energy: -864.769 where: short stacking energy: -358.133 Base-Backbone interact. energy: -2.912 local terms energy: -408.941808 where: bonds (distance) C4'-P energy: -78.721 bonds (distance) P-C4' energy: -74.205 flat angles C4'-P-C4' energy: -86.481 flat angles P-C4'-P energy: -65.426 tors. eta vs tors. theta energy: -104.110 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: 141 Temperature: 1.100000 Total energy: -1255.831195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.831195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.831195 (E_RNA) where: Base-Base interactions energy: -844.434 where: short stacking energy: -375.979 Base-Backbone interact. energy: -1.818 local terms energy: -409.579042 where: bonds (distance) C4'-P energy: -78.847 bonds (distance) P-C4' energy: -85.767 flat angles C4'-P-C4' energy: -80.931 flat angles P-C4'-P energy: -57.716 tors. eta vs tors. theta energy: -106.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1235.574374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.574374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.574374 (E_RNA) where: Base-Base interactions energy: -849.912 where: short stacking energy: -389.053 Base-Backbone interact. energy: -1.021 local terms energy: -384.641910 where: bonds (distance) C4'-P energy: -69.213 bonds (distance) P-C4' energy: -63.980 flat angles C4'-P-C4' energy: -87.286 flat angles P-C4'-P energy: -62.331 tors. eta vs tors. theta energy: -101.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -892.800740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.800740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.800740 (E_RNA) where: Base-Base interactions energy: -571.954 where: short stacking energy: -264.521 Base-Backbone interact. energy: -0.597 local terms energy: -320.248900 where: bonds (distance) C4'-P energy: -59.331 bonds (distance) P-C4' energy: -76.108 flat angles C4'-P-C4' energy: -81.999 flat angles P-C4'-P energy: -53.155 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: 8, replica: 9 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -919.181737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.181737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.181737 (E_RNA) where: Base-Base interactions energy: -578.636 where: short stacking energy: -261.665 Base-Backbone interact. energy: -1.615 local terms energy: -338.930816 where: bonds (distance) C4'-P energy: -71.640 bonds (distance) P-C4' energy: -78.989 flat angles C4'-P-C4' energy: -84.089 flat angles P-C4'-P energy: -49.995 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: 5 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -698.681839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.681839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.681839 (E_RNA) where: Base-Base interactions energy: -430.206 where: short stacking energy: -208.827 Base-Backbone interact. energy: -0.983 local terms energy: -267.492695 where: bonds (distance) C4'-P energy: -61.429 bonds (distance) P-C4' energy: -60.971 flat angles C4'-P-C4' energy: -66.561 flat angles P-C4'-P energy: -38.702 tors. eta vs tors. theta energy: -39.829 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: 4 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -408.926738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.926738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.926738 (E_RNA) where: Base-Base interactions energy: -175.304 where: short stacking energy: -113.348 Base-Backbone interact. energy: 2.501 local terms energy: -236.123862 where: bonds (distance) C4'-P energy: -72.861 bonds (distance) P-C4' energy: -77.850 flat angles C4'-P-C4' energy: -55.822 flat angles P-C4'-P energy: -37.605 tors. eta vs tors. theta energy: 8.014 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: 1, replica: 10 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1524.164578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.164578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.164578 (E_RNA) where: Base-Base interactions energy: -1073.958 where: short stacking energy: -449.238 Base-Backbone interact. energy: -1.483 local terms energy: -448.723324 where: bonds (distance) C4'-P energy: -81.956 bonds (distance) P-C4' energy: -81.996 flat angles C4'-P-C4' energy: -94.635 flat angles P-C4'-P energy: -69.647 tors. eta vs tors. theta energy: -120.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1423.227255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.227255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.227255 (E_RNA) where: Base-Base interactions energy: -994.487 where: short stacking energy: -438.391 Base-Backbone interact. energy: -2.375 local terms energy: -426.364672 where: bonds (distance) C4'-P energy: -79.963 bonds (distance) P-C4' energy: -85.596 flat angles C4'-P-C4' energy: -91.681 flat angles P-C4'-P energy: -59.211 tors. eta vs tors. theta energy: -109.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1402.539580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.539580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.539580 (E_RNA) where: Base-Base interactions energy: -973.409 where: short stacking energy: -403.861 Base-Backbone interact. energy: -1.305 local terms energy: -427.825670 where: bonds (distance) C4'-P energy: -85.552 bonds (distance) P-C4' energy: -75.014 flat angles C4'-P-C4' energy: -91.242 flat angles P-C4'-P energy: -63.312 tors. eta vs tors. theta energy: -112.705 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: 7 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1300.806388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.806388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.806388 (E_RNA) where: Base-Base interactions energy: -897.506 where: short stacking energy: -404.168 Base-Backbone interact. energy: -2.690 local terms energy: -400.610480 where: bonds (distance) C4'-P energy: -69.740 bonds (distance) P-C4' energy: -76.223 flat angles C4'-P-C4' energy: -90.964 flat angles P-C4'-P energy: -52.442 tors. eta vs tors. theta energy: -111.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1268.090573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.090573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.090573 (E_RNA) where: Base-Base interactions energy: -863.129 where: short stacking energy: -390.391 Base-Backbone interact. energy: -2.975 local terms energy: -401.986506 where: bonds (distance) C4'-P energy: -77.564 bonds (distance) P-C4' energy: -80.086 flat angles C4'-P-C4' energy: -83.282 flat angles P-C4'-P energy: -53.239 tors. eta vs tors. theta energy: -107.816 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: 2 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1255.169076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.169076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.169076 (E_RNA) where: Base-Base interactions energy: -859.261 where: short stacking energy: -383.930 Base-Backbone interact. energy: -1.399 local terms energy: -394.509460 where: bonds (distance) C4'-P energy: -74.683 bonds (distance) P-C4' energy: -63.251 flat angles C4'-P-C4' energy: -88.430 flat angles P-C4'-P energy: -66.667 tors. eta vs tors. theta energy: -101.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1049.914790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.914790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.914790 (E_RNA) where: Base-Base interactions energy: -710.739 where: short stacking energy: -297.932 Base-Backbone interact. energy: -4.551 local terms energy: -334.625265 where: bonds (distance) C4'-P energy: -74.476 bonds (distance) P-C4' energy: -63.092 flat angles C4'-P-C4' energy: -74.635 flat angles P-C4'-P energy: -48.697 tors. eta vs tors. theta energy: -73.725 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: 3 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -867.251274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.251274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.251274 (E_RNA) where: Base-Base interactions energy: -567.171 where: short stacking energy: -256.645 Base-Backbone interact. energy: 1.062 local terms energy: -301.143028 where: bonds (distance) C4'-P energy: -69.814 bonds (distance) P-C4' energy: -78.127 flat angles C4'-P-C4' energy: -74.931 flat angles P-C4'-P energy: -42.297 tors. eta vs tors. theta energy: -35.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -696.248645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.248645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.248645 (E_RNA) where: Base-Base interactions energy: -430.255 where: short stacking energy: -182.442 Base-Backbone interact. energy: -3.464 local terms energy: -262.530281 where: bonds (distance) C4'-P energy: -62.599 bonds (distance) P-C4' energy: -67.694 flat angles C4'-P-C4' energy: -63.128 flat angles P-C4'-P energy: -39.181 tors. eta vs tors. theta energy: -29.929 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: 4 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -403.998287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.998287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.998287 (E_RNA) where: Base-Base interactions energy: -164.139 where: short stacking energy: -128.294 Base-Backbone interact. energy: 4.661 local terms energy: -244.520301 where: bonds (distance) C4'-P energy: -69.615 bonds (distance) P-C4' energy: -76.943 flat angles C4'-P-C4' energy: -63.674 flat angles P-C4'-P energy: -33.949 tors. eta vs tors. theta energy: -0.339 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: 1, replica: 10 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1507.789492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.789492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.789492 (E_RNA) where: Base-Base interactions energy: -1042.971 where: short stacking energy: -444.689 Base-Backbone interact. energy: -4.313 local terms energy: -460.505562 where: bonds (distance) C4'-P energy: -83.561 bonds (distance) P-C4' energy: -78.722 flat angles C4'-P-C4' energy: -99.625 flat angles P-C4'-P energy: -67.310 tors. eta vs tors. theta energy: -131.289 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: 143 Temperature: 0.950000 Total energy: -1447.886277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.886277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.886277 (E_RNA) where: Base-Base interactions energy: -1015.053 where: short stacking energy: -432.011 Base-Backbone interact. energy: -0.360 local terms energy: -432.473105 where: bonds (distance) C4'-P energy: -85.092 bonds (distance) P-C4' energy: -79.012 flat angles C4'-P-C4' energy: -88.868 flat angles P-C4'-P energy: -70.433 tors. eta vs tors. theta energy: -109.068 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: 3, replica: 1 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1380.796430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.796430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.796430 (E_RNA) where: Base-Base interactions energy: -980.248 where: short stacking energy: -412.794 Base-Backbone interact. energy: -3.563 local terms energy: -396.986083 where: bonds (distance) C4'-P energy: -78.740 bonds (distance) P-C4' energy: -74.155 flat angles C4'-P-C4' energy: -93.697 flat angles P-C4'-P energy: -53.145 tors. eta vs tors. theta energy: -97.249 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: 7 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -1293.608922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.608922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.608922 (E_RNA) where: Base-Base interactions energy: -871.795 where: short stacking energy: -400.833 Base-Backbone interact. energy: 2.024 local terms energy: -423.837603 where: bonds (distance) C4'-P energy: -73.008 bonds (distance) P-C4' energy: -84.419 flat angles C4'-P-C4' energy: -94.965 flat angles P-C4'-P energy: -59.601 tors. eta vs tors. theta energy: -111.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1258.624475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.624475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.624475 (E_RNA) where: Base-Base interactions energy: -861.574 where: short stacking energy: -377.437 Base-Backbone interact. energy: -0.743 local terms energy: -396.307339 where: bonds (distance) C4'-P energy: -77.510 bonds (distance) P-C4' energy: -81.862 flat angles C4'-P-C4' energy: -86.142 flat angles P-C4'-P energy: -52.933 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: 6, replica: 2 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1202.106527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.106527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.106527 (E_RNA) where: Base-Base interactions energy: -831.102 where: short stacking energy: -366.870 Base-Backbone interact. energy: -1.217 local terms energy: -369.787698 where: bonds (distance) C4'-P energy: -76.263 bonds (distance) P-C4' energy: -70.825 flat angles C4'-P-C4' energy: -71.355 flat angles P-C4'-P energy: -48.788 tors. eta vs tors. theta energy: -102.556 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: 9 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1039.201070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.201070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.201070 (E_RNA) where: Base-Base interactions energy: -688.721 where: short stacking energy: -316.374 Base-Backbone interact. energy: 1.255 local terms energy: -351.735765 where: bonds (distance) C4'-P energy: -59.503 bonds (distance) P-C4' energy: -85.983 flat angles C4'-P-C4' energy: -83.255 flat angles P-C4'-P energy: -48.727 tors. eta vs tors. theta energy: -74.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -889.400122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.400122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.400122 (E_RNA) where: Base-Base interactions energy: -592.043 where: short stacking energy: -264.436 Base-Backbone interact. energy: 1.663 local terms energy: -299.019490 where: bonds (distance) C4'-P energy: -60.517 bonds (distance) P-C4' energy: -68.095 flat angles C4'-P-C4' energy: -60.614 flat angles P-C4'-P energy: -55.880 tors. eta vs tors. theta energy: -53.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -754.890552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.890552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.890552 (E_RNA) where: Base-Base interactions energy: -477.386 where: short stacking energy: -232.553 Base-Backbone interact. energy: 0.309 local terms energy: -277.813345 where: bonds (distance) C4'-P energy: -68.499 bonds (distance) P-C4' energy: -71.037 flat angles C4'-P-C4' energy: -71.290 flat angles P-C4'-P energy: -33.790 tors. eta vs tors. theta energy: -33.198 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: 4 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -359.423365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.423365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.423365 (E_RNA) where: Base-Base interactions energy: -162.186 where: short stacking energy: -117.134 Base-Backbone interact. energy: -1.068 local terms energy: -196.169292 where: bonds (distance) C4'-P energy: -64.755 bonds (distance) P-C4' energy: -75.569 flat angles C4'-P-C4' energy: -42.975 flat angles P-C4'-P energy: -21.215 tors. eta vs tors. theta energy: 8.346 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: 144 Temperature: 0.900000 Total energy: -1516.433072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.433072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.433072 (E_RNA) where: Base-Base interactions energy: -1041.718 where: short stacking energy: -443.539 Base-Backbone interact. energy: -5.166 local terms energy: -469.549758 where: bonds (distance) C4'-P energy: -87.934 bonds (distance) P-C4' energy: -91.681 flat angles C4'-P-C4' energy: -91.271 flat angles P-C4'-P energy: -65.854 tors. eta vs tors. theta energy: -132.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1426.720233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.720233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.720233 (E_RNA) where: Base-Base interactions energy: -1001.894 where: short stacking energy: -407.049 Base-Backbone interact. energy: -0.726 local terms energy: -424.100751 where: bonds (distance) C4'-P energy: -80.532 bonds (distance) P-C4' energy: -71.185 flat angles C4'-P-C4' energy: -95.696 flat angles P-C4'-P energy: -63.838 tors. eta vs tors. theta energy: -112.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1390.661559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.661559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.661559 (E_RNA) where: Base-Base interactions energy: -970.924 where: short stacking energy: -414.827 Base-Backbone interact. energy: -1.589 local terms energy: -418.148158 where: bonds (distance) C4'-P energy: -85.134 bonds (distance) P-C4' energy: -81.996 flat angles C4'-P-C4' energy: -82.921 flat angles P-C4'-P energy: -62.690 tors. eta vs tors. theta energy: -105.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1284.446539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.446539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.446539 (E_RNA) where: Base-Base interactions energy: -892.328 where: short stacking energy: -386.803 Base-Backbone interact. energy: -2.222 local terms energy: -389.896732 where: bonds (distance) C4'-P energy: -62.185 bonds (distance) P-C4' energy: -71.306 flat angles C4'-P-C4' energy: -91.441 flat angles P-C4'-P energy: -58.895 tors. eta vs tors. theta energy: -106.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1271.025963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.025963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.025963 (E_RNA) where: Base-Base interactions energy: -879.237 where: short stacking energy: -388.702 Base-Backbone interact. energy: 0.178 local terms energy: -391.967411 where: bonds (distance) C4'-P energy: -70.858 bonds (distance) P-C4' energy: -74.574 flat angles C4'-P-C4' energy: -79.465 flat angles P-C4'-P energy: -62.306 tors. eta vs tors. theta energy: -104.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1257.753087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.753087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.753087 (E_RNA) where: Base-Base interactions energy: -874.749 where: short stacking energy: -387.934 Base-Backbone interact. energy: -2.578 local terms energy: -380.426576 where: bonds (distance) C4'-P energy: -71.765 bonds (distance) P-C4' energy: -64.269 flat angles C4'-P-C4' energy: -86.304 flat angles P-C4'-P energy: -47.037 tors. eta vs tors. theta energy: -111.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1061.585069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.585069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.585069 (E_RNA) where: Base-Base interactions energy: -712.283 where: short stacking energy: -321.890 Base-Backbone interact. energy: -2.196 local terms energy: -347.105895 where: bonds (distance) C4'-P energy: -69.472 bonds (distance) P-C4' energy: -77.864 flat angles C4'-P-C4' energy: -75.768 flat angles P-C4'-P energy: -49.168 tors. eta vs tors. theta energy: -74.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -831.022918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.022918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.022918 (E_RNA) where: Base-Base interactions energy: -553.687 where: short stacking energy: -264.371 Base-Backbone interact. energy: 8.400 local terms energy: -285.735324 where: bonds (distance) C4'-P energy: -63.419 bonds (distance) P-C4' energy: -73.267 flat angles C4'-P-C4' energy: -50.649 flat angles P-C4'-P energy: -48.227 tors. eta vs tors. theta energy: -50.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -738.782073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.782073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.782073 (E_RNA) where: Base-Base interactions energy: -453.249 where: short stacking energy: -205.109 Base-Backbone interact. energy: -3.612 local terms energy: -281.921029 where: bonds (distance) C4'-P energy: -67.984 bonds (distance) P-C4' energy: -63.281 flat angles C4'-P-C4' energy: -69.036 flat angles P-C4'-P energy: -55.123 tors. eta vs tors. theta energy: -26.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -366.967200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.967200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.967200 (E_RNA) where: Base-Base interactions energy: -187.639 where: short stacking energy: -143.905 Base-Backbone interact. energy: -0.976 local terms energy: -178.352539 where: bonds (distance) C4'-P energy: -50.321 bonds (distance) P-C4' energy: -67.929 flat angles C4'-P-C4' energy: -36.915 flat angles P-C4'-P energy: -24.276 tors. eta vs tors. theta energy: 1.088 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: 10 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1509.226541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.226541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.226541 (E_RNA) where: Base-Base interactions energy: -1056.871 where: short stacking energy: -444.082 Base-Backbone interact. energy: 2.626 local terms energy: -454.980711 where: bonds (distance) C4'-P energy: -71.672 bonds (distance) P-C4' energy: -93.778 flat angles C4'-P-C4' energy: -96.534 flat angles P-C4'-P energy: -64.342 tors. eta vs tors. theta energy: -128.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1420.773856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.773856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.773856 (E_RNA) where: Base-Base interactions energy: -1009.651 where: short stacking energy: -409.719 Base-Backbone interact. energy: -4.798 local terms energy: -406.324655 where: bonds (distance) C4'-P energy: -77.909 bonds (distance) P-C4' energy: -78.996 flat angles C4'-P-C4' energy: -77.452 flat angles P-C4'-P energy: -70.657 tors. eta vs tors. theta energy: -101.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1376.280312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.280312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.280312 (E_RNA) where: Base-Base interactions energy: -955.636 where: short stacking energy: -382.617 Base-Backbone interact. energy: -1.630 local terms energy: -419.014530 where: bonds (distance) C4'-P energy: -82.651 bonds (distance) P-C4' energy: -83.867 flat angles C4'-P-C4' energy: -85.355 flat angles P-C4'-P energy: -61.629 tors. eta vs tors. theta energy: -105.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1300.243657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.243657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.243657 (E_RNA) where: Base-Base interactions energy: -876.525 where: short stacking energy: -385.653 Base-Backbone interact. energy: -1.293 local terms energy: -422.424979 where: bonds (distance) C4'-P energy: -78.880 bonds (distance) P-C4' energy: -90.301 flat angles C4'-P-C4' energy: -97.764 flat angles P-C4'-P energy: -54.923 tors. eta vs tors. theta energy: -100.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1295.425033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.425033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.425033 (E_RNA) where: Base-Base interactions energy: -882.730 where: short stacking energy: -393.160 Base-Backbone interact. energy: 1.173 local terms energy: -413.868484 where: bonds (distance) C4'-P energy: -75.836 bonds (distance) P-C4' energy: -86.080 flat angles C4'-P-C4' energy: -76.307 flat angles P-C4'-P energy: -66.562 tors. eta vs tors. theta energy: -109.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1215.022238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.022238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.022238 (E_RNA) where: Base-Base interactions energy: -849.015 where: short stacking energy: -367.103 Base-Backbone interact. energy: -1.762 local terms energy: -364.244706 where: bonds (distance) C4'-P energy: -80.487 bonds (distance) P-C4' energy: -71.901 flat angles C4'-P-C4' energy: -71.402 flat angles P-C4'-P energy: -51.119 tors. eta vs tors. theta energy: -89.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1030.651469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.651469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.651469 (E_RNA) where: Base-Base interactions energy: -677.450 where: short stacking energy: -310.089 Base-Backbone interact. energy: -1.261 local terms energy: -351.939866 where: bonds (distance) C4'-P energy: -59.615 bonds (distance) P-C4' energy: -76.358 flat angles C4'-P-C4' energy: -86.154 flat angles P-C4'-P energy: -57.756 tors. eta vs tors. theta energy: -72.057 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: 5 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -813.516372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.516372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.516372 (E_RNA) where: Base-Base interactions energy: -522.358 where: short stacking energy: -238.543 Base-Backbone interact. energy: 1.130 local terms energy: -292.288064 where: bonds (distance) C4'-P energy: -71.301 bonds (distance) P-C4' energy: -67.221 flat angles C4'-P-C4' energy: -54.233 flat angles P-C4'-P energy: -49.885 tors. eta vs tors. theta energy: -49.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -776.227580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.227580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.227580 (E_RNA) where: Base-Base interactions energy: -477.872 where: short stacking energy: -205.154 Base-Backbone interact. energy: -1.448 local terms energy: -296.907376 where: bonds (distance) C4'-P energy: -77.326 bonds (distance) P-C4' energy: -76.342 flat angles C4'-P-C4' energy: -55.302 flat angles P-C4'-P energy: -50.969 tors. eta vs tors. theta energy: -36.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -366.695860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.695860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.695860 (E_RNA) where: Base-Base interactions energy: -124.104 where: short stacking energy: -113.100 Base-Backbone interact. energy: 2.484 local terms energy: -245.075495 where: bonds (distance) C4'-P energy: -60.363 bonds (distance) P-C4' energy: -70.388 flat angles C4'-P-C4' energy: -69.534 flat angles P-C4'-P energy: -43.382 tors. eta vs tors. theta energy: -1.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1520.284794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.284794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.284794 (E_RNA) where: Base-Base interactions energy: -1039.773 where: short stacking energy: -443.412 Base-Backbone interact. energy: -5.600 local terms energy: -474.911399 where: bonds (distance) C4'-P energy: -84.586 bonds (distance) P-C4' energy: -91.686 flat angles C4'-P-C4' energy: -100.008 flat angles P-C4'-P energy: -72.695 tors. eta vs tors. theta energy: -125.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1460.810006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.810006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.810006 (E_RNA) where: Base-Base interactions energy: -1005.989 where: short stacking energy: -430.172 Base-Backbone interact. energy: -2.202 local terms energy: -452.618130 where: bonds (distance) C4'-P energy: -87.053 bonds (distance) P-C4' energy: -88.663 flat angles C4'-P-C4' energy: -94.448 flat angles P-C4'-P energy: -62.181 tors. eta vs tors. theta energy: -120.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1408.697920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.697920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.697920 (E_RNA) where: Base-Base interactions energy: -989.192 where: short stacking energy: -399.304 Base-Backbone interact. energy: -0.529 local terms energy: -418.977266 where: bonds (distance) C4'-P energy: -77.268 bonds (distance) P-C4' energy: -85.687 flat angles C4'-P-C4' energy: -94.797 flat angles P-C4'-P energy: -56.019 tors. eta vs tors. theta energy: -105.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1256.241075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.241075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.241075 (E_RNA) where: Base-Base interactions energy: -873.103 where: short stacking energy: -352.993 Base-Backbone interact. energy: -1.594 local terms energy: -381.544014 where: bonds (distance) C4'-P energy: -68.791 bonds (distance) P-C4' energy: -79.146 flat angles C4'-P-C4' energy: -76.685 flat angles P-C4'-P energy: -64.395 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: 5, replica: 8 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1232.644631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.644631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.644631 (E_RNA) where: Base-Base interactions energy: -836.499 where: short stacking energy: -360.107 Base-Backbone interact. energy: -1.319 local terms energy: -394.827078 where: bonds (distance) C4'-P energy: -76.260 bonds (distance) P-C4' energy: -80.634 flat angles C4'-P-C4' energy: -83.374 flat angles P-C4'-P energy: -47.774 tors. eta vs tors. theta energy: -106.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1162.545188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.545188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.545188 (E_RNA) where: Base-Base interactions energy: -792.969 where: short stacking energy: -338.194 Base-Backbone interact. energy: -4.203 local terms energy: -365.373908 where: bonds (distance) C4'-P energy: -62.420 bonds (distance) P-C4' energy: -81.598 flat angles C4'-P-C4' energy: -82.174 flat angles P-C4'-P energy: -61.106 tors. eta vs tors. theta energy: -78.077 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: 9 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1035.979792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.979792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.979792 (E_RNA) where: Base-Base interactions energy: -693.000 where: short stacking energy: -330.801 Base-Backbone interact. energy: -1.982 local terms energy: -340.998260 where: bonds (distance) C4'-P energy: -61.448 bonds (distance) P-C4' energy: -79.371 flat angles C4'-P-C4' energy: -72.958 flat angles P-C4'-P energy: -52.044 tors. eta vs tors. theta energy: -75.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -837.272294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.272294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.272294 (E_RNA) where: Base-Base interactions energy: -530.520 where: short stacking energy: -248.947 Base-Backbone interact. energy: -0.299 local terms energy: -306.452845 where: bonds (distance) C4'-P energy: -75.833 bonds (distance) P-C4' energy: -83.117 flat angles C4'-P-C4' energy: -70.217 flat angles P-C4'-P energy: -38.216 tors. eta vs tors. theta energy: -39.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -764.876178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.876178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.876178 (E_RNA) where: Base-Base interactions energy: -473.972 where: short stacking energy: -215.308 Base-Backbone interact. energy: 1.997 local terms energy: -292.900814 where: bonds (distance) C4'-P energy: -65.815 bonds (distance) P-C4' energy: -76.400 flat angles C4'-P-C4' energy: -68.314 flat angles P-C4'-P energy: -48.766 tors. eta vs tors. theta energy: -33.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -347.645345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.645345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.645345 (E_RNA) where: Base-Base interactions energy: -114.536 where: short stacking energy: -100.274 Base-Backbone interact. energy: 3.721 local terms energy: -236.830712 where: bonds (distance) C4'-P energy: -82.573 bonds (distance) P-C4' energy: -64.933 flat angles C4'-P-C4' energy: -56.861 flat angles P-C4'-P energy: -39.106 tors. eta vs tors. theta energy: 6.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1513.702580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.702580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.702580 (E_RNA) where: Base-Base interactions energy: -1083.121 where: short stacking energy: -428.912 Base-Backbone interact. energy: 2.989 local terms energy: -433.570688 where: bonds (distance) C4'-P energy: -86.314 bonds (distance) P-C4' energy: -78.218 flat angles C4'-P-C4' energy: -81.789 flat angles P-C4'-P energy: -63.427 tors. eta vs tors. theta energy: -123.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1441.633286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.633286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.633286 (E_RNA) where: Base-Base interactions energy: -1006.590 where: short stacking energy: -422.619 Base-Backbone interact. energy: -1.256 local terms energy: -433.786360 where: bonds (distance) C4'-P energy: -82.421 bonds (distance) P-C4' energy: -82.035 flat angles C4'-P-C4' energy: -89.095 flat angles P-C4'-P energy: -61.671 tors. eta vs tors. theta energy: -118.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1397.357152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.357152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.357152 (E_RNA) where: Base-Base interactions energy: -976.991 where: short stacking energy: -406.340 Base-Backbone interact. energy: -1.022 local terms energy: -419.343968 where: bonds (distance) C4'-P energy: -80.418 bonds (distance) P-C4' energy: -88.228 flat angles C4'-P-C4' energy: -87.769 flat angles P-C4'-P energy: -57.187 tors. eta vs tors. theta energy: -105.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1287.902886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.902886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.902886 (E_RNA) where: Base-Base interactions energy: -862.194 where: short stacking energy: -396.928 Base-Backbone interact. energy: -1.921 local terms energy: -423.787750 where: bonds (distance) C4'-P energy: -77.211 bonds (distance) P-C4' energy: -71.908 flat angles C4'-P-C4' energy: -89.903 flat angles P-C4'-P energy: -68.101 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: 5, replica: 7 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -1218.346232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.346232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.346232 (E_RNA) where: Base-Base interactions energy: -823.926 where: short stacking energy: -361.323 Base-Backbone interact. energy: -0.111 local terms energy: -394.309537 where: bonds (distance) C4'-P energy: -79.998 bonds (distance) P-C4' energy: -83.803 flat angles C4'-P-C4' energy: -88.963 flat angles P-C4'-P energy: -45.535 tors. eta vs tors. theta energy: -96.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1194.935885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.935885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.935885 (E_RNA) where: Base-Base interactions energy: -838.470 where: short stacking energy: -365.653 Base-Backbone interact. energy: 1.552 local terms energy: -358.018143 where: bonds (distance) C4'-P energy: -74.538 bonds (distance) P-C4' energy: -73.412 flat angles C4'-P-C4' energy: -67.963 flat angles P-C4'-P energy: -55.003 tors. eta vs tors. theta energy: -87.102 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: 7, replica: 9 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1066.938009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.938009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.938009 (E_RNA) where: Base-Base interactions energy: -706.785 where: short stacking energy: -332.922 Base-Backbone interact. energy: 0.678 local terms energy: -360.830990 where: bonds (distance) C4'-P energy: -73.880 bonds (distance) P-C4' energy: -85.814 flat angles C4'-P-C4' energy: -65.242 flat angles P-C4'-P energy: -55.300 tors. eta vs tors. theta energy: -80.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -843.571965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.571965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.571965 (E_RNA) where: Base-Base interactions energy: -542.585 where: short stacking energy: -255.541 Base-Backbone interact. energy: -1.575 local terms energy: -299.412581 where: bonds (distance) C4'-P energy: -73.770 bonds (distance) P-C4' energy: -68.973 flat angles C4'-P-C4' energy: -70.332 flat angles P-C4'-P energy: -38.160 tors. eta vs tors. theta energy: -48.177 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: 5 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -782.450968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.450968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.450968 (E_RNA) where: Base-Base interactions energy: -486.769 where: short stacking energy: -219.538 Base-Backbone interact. energy: -2.488 local terms energy: -293.193791 where: bonds (distance) C4'-P energy: -82.082 bonds (distance) P-C4' energy: -54.557 flat angles C4'-P-C4' energy: -76.828 flat angles P-C4'-P energy: -35.614 tors. eta vs tors. theta energy: -44.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -338.178888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.178888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.178888 (E_RNA) where: Base-Base interactions energy: -122.156 where: short stacking energy: -106.060 Base-Backbone interact. energy: 1.322 local terms energy: -217.344909 where: bonds (distance) C4'-P energy: -72.807 bonds (distance) P-C4' energy: -67.695 flat angles C4'-P-C4' energy: -57.795 flat angles P-C4'-P energy: -22.454 tors. eta vs tors. theta energy: 3.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1500.832373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.832373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.832373 (E_RNA) where: Base-Base interactions energy: -1031.521 where: short stacking energy: -433.448 Base-Backbone interact. energy: -0.972 local terms energy: -468.339251 where: bonds (distance) C4'-P energy: -78.254 bonds (distance) P-C4' energy: -86.411 flat angles C4'-P-C4' energy: -103.585 flat angles P-C4'-P energy: -69.061 tors. eta vs tors. theta energy: -131.028 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: 6 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1429.766516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.766516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.766516 (E_RNA) where: Base-Base interactions energy: -979.465 where: short stacking energy: -425.142 Base-Backbone interact. energy: -2.580 local terms energy: -447.721144 where: bonds (distance) C4'-P energy: -84.475 bonds (distance) P-C4' energy: -78.686 flat angles C4'-P-C4' energy: -97.141 flat angles P-C4'-P energy: -73.385 tors. eta vs tors. theta energy: -114.035 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: 3, replica: 1 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1383.924525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.924525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.924525 (E_RNA) where: Base-Base interactions energy: -962.980 where: short stacking energy: -396.197 Base-Backbone interact. energy: 0.621 local terms energy: -421.565409 where: bonds (distance) C4'-P energy: -70.493 bonds (distance) P-C4' energy: -82.821 flat angles C4'-P-C4' energy: -98.036 flat angles P-C4'-P energy: -65.388 tors. eta vs tors. theta energy: -104.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1328.940378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.940378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.940378 (E_RNA) where: Base-Base interactions energy: -919.652 where: short stacking energy: -411.834 Base-Backbone interact. energy: 0.681 local terms energy: -409.970081 where: bonds (distance) C4'-P energy: -68.145 bonds (distance) P-C4' energy: -75.696 flat angles C4'-P-C4' energy: -85.506 flat angles P-C4'-P energy: -58.481 tors. eta vs tors. theta energy: -122.141 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: 7 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1238.295782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.295782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.295782 (E_RNA) where: Base-Base interactions energy: -851.066 where: short stacking energy: -362.326 Base-Backbone interact. energy: -1.854 local terms energy: -385.375625 where: bonds (distance) C4'-P energy: -70.383 bonds (distance) P-C4' energy: -71.280 flat angles C4'-P-C4' energy: -81.022 flat angles P-C4'-P energy: -64.791 tors. eta vs tors. theta energy: -97.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1240.046930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.046930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.046930 (E_RNA) where: Base-Base interactions energy: -856.212 where: short stacking energy: -373.291 Base-Backbone interact. energy: 1.543 local terms energy: -385.377935 where: bonds (distance) C4'-P energy: -69.623 bonds (distance) P-C4' energy: -84.435 flat angles C4'-P-C4' energy: -82.918 flat angles P-C4'-P energy: -58.839 tors. eta vs tors. theta energy: -89.563 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: 148 Temperature: 1.200000 Total energy: -1069.633103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.633103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.633103 (E_RNA) where: Base-Base interactions energy: -729.346 where: short stacking energy: -347.246 Base-Backbone interact. energy: -0.650 local terms energy: -339.636957 where: bonds (distance) C4'-P energy: -55.564 bonds (distance) P-C4' energy: -71.482 flat angles C4'-P-C4' energy: -84.387 flat angles P-C4'-P energy: -43.198 tors. eta vs tors. theta energy: -85.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -772.135317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.135317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.135317 (E_RNA) where: Base-Base interactions energy: -476.554 where: short stacking energy: -231.301 Base-Backbone interact. energy: -1.199 local terms energy: -294.382211 where: bonds (distance) C4'-P energy: -68.361 bonds (distance) P-C4' energy: -63.881 flat angles C4'-P-C4' energy: -74.839 flat angles P-C4'-P energy: -40.234 tors. eta vs tors. theta energy: -47.067 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: 5 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -792.711310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.711310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.711310 (E_RNA) where: Base-Base interactions energy: -484.519 where: short stacking energy: -224.734 Base-Backbone interact. energy: -3.893 local terms energy: -304.299550 where: bonds (distance) C4'-P energy: -75.110 bonds (distance) P-C4' energy: -76.564 flat angles C4'-P-C4' energy: -70.820 flat angles P-C4'-P energy: -35.784 tors. eta vs tors. theta energy: -46.021 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: 4 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -365.085999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.085999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.085999 (E_RNA) where: Base-Base interactions energy: -126.686 where: short stacking energy: -100.903 Base-Backbone interact. energy: 2.213 local terms energy: -240.612608 where: bonds (distance) C4'-P energy: -68.603 bonds (distance) P-C4' energy: -80.904 flat angles C4'-P-C4' energy: -63.080 flat angles P-C4'-P energy: -40.620 tors. eta vs tors. theta energy: 12.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1513.441205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.441205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.441205 (E_RNA) where: Base-Base interactions energy: -1054.557 where: short stacking energy: -447.217 Base-Backbone interact. energy: -2.162 local terms energy: -456.722377 where: bonds (distance) C4'-P energy: -89.417 bonds (distance) P-C4' energy: -79.512 flat angles C4'-P-C4' energy: -95.125 flat angles P-C4'-P energy: -65.729 tors. eta vs tors. theta energy: -126.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1451.201814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.201814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.201814 (E_RNA) where: Base-Base interactions energy: -1028.960 where: short stacking energy: -423.449 Base-Backbone interact. energy: -1.889 local terms energy: -420.352843 where: bonds (distance) C4'-P energy: -63.701 bonds (distance) P-C4' energy: -83.024 flat angles C4'-P-C4' energy: -94.357 flat angles P-C4'-P energy: -63.405 tors. eta vs tors. theta energy: -115.865 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: 1 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1383.892092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.892092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.892092 (E_RNA) where: Base-Base interactions energy: -992.416 where: short stacking energy: -408.856 Base-Backbone interact. energy: -2.566 local terms energy: -388.910417 where: bonds (distance) C4'-P energy: -76.484 bonds (distance) P-C4' energy: -78.089 flat angles C4'-P-C4' energy: -86.245 flat angles P-C4'-P energy: -49.192 tors. eta vs tors. theta energy: -98.901 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: 8 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1323.102699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.102699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.102699 (E_RNA) where: Base-Base interactions energy: -899.961 where: short stacking energy: -405.484 Base-Backbone interact. energy: -0.443 local terms energy: -422.698450 where: bonds (distance) C4'-P energy: -78.902 bonds (distance) P-C4' energy: -84.353 flat angles C4'-P-C4' energy: -79.118 flat angles P-C4'-P energy: -65.823 tors. eta vs tors. theta energy: -114.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -1238.482639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.482639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.482639 (E_RNA) where: Base-Base interactions energy: -831.942 where: short stacking energy: -350.681 Base-Backbone interact. energy: -2.706 local terms energy: -403.834156 where: bonds (distance) C4'-P energy: -75.661 bonds (distance) P-C4' energy: -82.447 flat angles C4'-P-C4' energy: -84.875 flat angles P-C4'-P energy: -56.686 tors. eta vs tors. theta energy: -104.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1195.118179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.118179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.118179 (E_RNA) where: Base-Base interactions energy: -820.759 where: short stacking energy: -353.624 Base-Backbone interact. energy: 0.541 local terms energy: -374.900370 where: bonds (distance) C4'-P energy: -66.560 bonds (distance) P-C4' energy: -73.750 flat angles C4'-P-C4' energy: -85.122 flat angles P-C4'-P energy: -58.304 tors. eta vs tors. theta energy: -91.165 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: 7, replica: 9 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1104.274958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.274958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.274958 (E_RNA) where: Base-Base interactions energy: -746.197 where: short stacking energy: -346.294 Base-Backbone interact. energy: -1.811 local terms energy: -356.267794 where: bonds (distance) C4'-P energy: -74.992 bonds (distance) P-C4' energy: -68.612 flat angles C4'-P-C4' energy: -94.123 flat angles P-C4'-P energy: -45.091 tors. eta vs tors. theta energy: -73.451 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: 149 Temperature: 1.250000 Total energy: -856.154326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.154326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.154326 (E_RNA) where: Base-Base interactions energy: -541.397 where: short stacking energy: -238.281 Base-Backbone interact. energy: -1.708 local terms energy: -313.050038 where: bonds (distance) C4'-P energy: -70.957 bonds (distance) P-C4' energy: -64.132 flat angles C4'-P-C4' energy: -80.630 flat angles P-C4'-P energy: -50.502 tors. eta vs tors. theta energy: -46.828 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: 3 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -764.806717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.806717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.806717 (E_RNA) where: Base-Base interactions energy: -469.398 where: short stacking energy: -226.268 Base-Backbone interact. energy: -1.671 local terms energy: -293.737193 where: bonds (distance) C4'-P energy: -62.298 bonds (distance) P-C4' energy: -81.908 flat angles C4'-P-C4' energy: -67.327 flat angles P-C4'-P energy: -41.707 tors. eta vs tors. theta energy: -40.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -372.196366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.196366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.196366 (E_RNA) where: Base-Base interactions energy: -130.997 where: short stacking energy: -103.730 Base-Backbone interact. energy: -0.809 local terms energy: -240.390248 where: bonds (distance) C4'-P energy: -74.555 bonds (distance) P-C4' energy: -72.312 flat angles C4'-P-C4' energy: -62.217 flat angles P-C4'-P energy: -34.612 tors. eta vs tors. theta energy: 3.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1491.584643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.584643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.584643 (E_RNA) where: Base-Base interactions energy: -1029.702 where: short stacking energy: -450.169 Base-Backbone interact. energy: -0.229 local terms energy: -461.653390 where: bonds (distance) C4'-P energy: -90.634 bonds (distance) P-C4' energy: -80.548 flat angles C4'-P-C4' energy: -92.308 flat angles P-C4'-P energy: -66.734 tors. eta vs tors. theta energy: -131.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1477.608314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.608314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.608314 (E_RNA) where: Base-Base interactions energy: -1024.235 where: short stacking energy: -446.009 Base-Backbone interact. energy: -1.800 local terms energy: -451.573201 where: bonds (distance) C4'-P energy: -84.413 bonds (distance) P-C4' energy: -79.433 flat angles C4'-P-C4' energy: -98.777 flat angles P-C4'-P energy: -68.650 tors. eta vs tors. theta energy: -120.301 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: 150 Temperature: 1.000000 Total energy: -1391.773511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.773511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.773511 (E_RNA) where: Base-Base interactions energy: -977.391 where: short stacking energy: -406.133 Base-Backbone interact. energy: -2.005 local terms energy: -412.378062 where: bonds (distance) C4'-P energy: -83.217 bonds (distance) P-C4' energy: -80.812 flat angles C4'-P-C4' energy: -82.931 flat angles P-C4'-P energy: -66.203 tors. eta vs tors. theta energy: -99.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1293.201677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.201677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.201677 (E_RNA) where: Base-Base interactions energy: -888.034 where: short stacking energy: -404.371 Base-Backbone interact. energy: -1.026 local terms energy: -404.141227 where: bonds (distance) C4'-P energy: -74.301 bonds (distance) P-C4' energy: -69.810 flat angles C4'-P-C4' energy: -91.919 flat angles P-C4'-P energy: -58.166 tors. eta vs tors. theta energy: -109.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1245.908875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.908875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.908875 (E_RNA) where: Base-Base interactions energy: -876.257 where: short stacking energy: -385.072 Base-Backbone interact. energy: 3.132 local terms energy: -372.783938 where: bonds (distance) C4'-P energy: -71.758 bonds (distance) P-C4' energy: -73.013 flat angles C4'-P-C4' energy: -82.994 flat angles P-C4'-P energy: -54.469 tors. eta vs tors. theta energy: -90.550 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: 150 Temperature: 1.150000 Total energy: -1196.441669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.441669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.441669 (E_RNA) where: Base-Base interactions energy: -802.790 where: short stacking energy: -345.393 Base-Backbone interact. energy: -3.326 local terms energy: -390.325315 where: bonds (distance) C4'-P energy: -72.379 bonds (distance) P-C4' energy: -82.016 flat angles C4'-P-C4' energy: -80.190 flat angles P-C4'-P energy: -58.001 tors. eta vs tors. theta energy: -97.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1094.880695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.880695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.880695 (E_RNA) where: Base-Base interactions energy: -724.519 where: short stacking energy: -336.301 Base-Backbone interact. energy: -1.283 local terms energy: -369.078695 where: bonds (distance) C4'-P energy: -78.500 bonds (distance) P-C4' energy: -62.594 flat angles C4'-P-C4' energy: -77.540 flat angles P-C4'-P energy: -60.991 tors. eta vs tors. theta energy: -89.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -815.555892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.555892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.555892 (E_RNA) where: Base-Base interactions energy: -487.411 where: short stacking energy: -216.364 Base-Backbone interact. energy: -2.604 local terms energy: -325.540520 where: bonds (distance) C4'-P energy: -68.282 bonds (distance) P-C4' energy: -74.670 flat angles C4'-P-C4' energy: -75.875 flat angles P-C4'-P energy: -51.835 tors. eta vs tors. theta energy: -54.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -710.389875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.389875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.389875 (E_RNA) where: Base-Base interactions energy: -434.837 where: short stacking energy: -220.211 Base-Backbone interact. energy: -0.944 local terms energy: -274.608751 where: bonds (distance) C4'-P energy: -53.138 bonds (distance) P-C4' energy: -70.443 flat angles C4'-P-C4' energy: -74.107 flat angles P-C4'-P energy: -46.493 tors. eta vs tors. theta energy: -30.428 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: 4 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -363.865888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.865888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.865888 (E_RNA) where: Base-Base interactions energy: -132.635 where: short stacking energy: -127.993 Base-Backbone interact. energy: 7.364 local terms energy: -238.595312 where: bonds (distance) C4'-P energy: -67.854 bonds (distance) P-C4' energy: -69.482 flat angles C4'-P-C4' energy: -55.844 flat angles P-C4'-P energy: -39.144 tors. eta vs tors. theta energy: -6.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1505.309057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.309057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.309057 (E_RNA) where: Base-Base interactions energy: -1020.926 where: short stacking energy: -442.947 Base-Backbone interact. energy: -3.797 local terms energy: -480.586300 where: bonds (distance) C4'-P energy: -88.602 bonds (distance) P-C4' energy: -97.800 flat angles C4'-P-C4' energy: -101.835 flat angles P-C4'-P energy: -66.198 tors. eta vs tors. theta energy: -126.151 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: 151 Temperature: 0.950000 Total energy: -1445.561727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.561727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.561727 (E_RNA) where: Base-Base interactions energy: -1023.158 where: short stacking energy: -431.640 Base-Backbone interact. energy: -2.402 local terms energy: -420.001726 where: bonds (distance) C4'-P energy: -73.362 bonds (distance) P-C4' energy: -74.254 flat angles C4'-P-C4' energy: -95.758 flat angles P-C4'-P energy: -62.597 tors. eta vs tors. theta energy: -114.031 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: 1 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1395.014205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.014205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.014205 (E_RNA) where: Base-Base interactions energy: -978.062 where: short stacking energy: -415.842 Base-Backbone interact. energy: -3.895 local terms energy: -413.057294 where: bonds (distance) C4'-P energy: -73.586 bonds (distance) P-C4' energy: -80.930 flat angles C4'-P-C4' energy: -88.736 flat angles P-C4'-P energy: -59.958 tors. eta vs tors. theta energy: -109.847 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: 4, replica: 8 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1317.813411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.813411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.813411 (E_RNA) where: Base-Base interactions energy: -894.017 where: short stacking energy: -413.792 Base-Backbone interact. energy: -0.841 local terms energy: -422.954973 where: bonds (distance) C4'-P energy: -81.094 bonds (distance) P-C4' energy: -73.842 flat angles C4'-P-C4' energy: -83.670 flat angles P-C4'-P energy: -65.691 tors. eta vs tors. theta energy: -118.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -1240.299290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.299290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.299290 (E_RNA) where: Base-Base interactions energy: -822.930 where: short stacking energy: -367.925 Base-Backbone interact. energy: -2.616 local terms energy: -414.753548 where: bonds (distance) C4'-P energy: -80.133 bonds (distance) P-C4' energy: -80.550 flat angles C4'-P-C4' energy: -85.456 flat angles P-C4'-P energy: -61.635 tors. eta vs tors. theta energy: -106.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1122.569323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.569323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.569323 (E_RNA) where: Base-Base interactions energy: -758.405 where: short stacking energy: -340.345 Base-Backbone interact. energy: -1.558 local terms energy: -362.606607 where: bonds (distance) C4'-P energy: -75.664 bonds (distance) P-C4' energy: -68.910 flat angles C4'-P-C4' energy: -89.329 flat angles P-C4'-P energy: -49.533 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: 7, replica: 7 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1127.198174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.198174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.198174 (E_RNA) where: Base-Base interactions energy: -758.003 where: short stacking energy: -317.663 Base-Backbone interact. energy: -1.068 local terms energy: -368.126886 where: bonds (distance) C4'-P energy: -61.611 bonds (distance) P-C4' energy: -77.867 flat angles C4'-P-C4' energy: -87.846 flat angles P-C4'-P energy: -53.757 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: 8, replica: 3 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -781.983035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.983035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.983035 (E_RNA) where: Base-Base interactions energy: -471.836 where: short stacking energy: -232.880 Base-Backbone interact. energy: 0.315 local terms energy: -310.462192 where: bonds (distance) C4'-P energy: -64.787 bonds (distance) P-C4' energy: -72.537 flat angles C4'-P-C4' energy: -76.939 flat angles P-C4'-P energy: -51.274 tors. eta vs tors. theta energy: -44.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -759.077531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.077531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.077531 (E_RNA) where: Base-Base interactions energy: -475.191 where: short stacking energy: -236.447 Base-Backbone interact. energy: -1.508 local terms energy: -282.378376 where: bonds (distance) C4'-P energy: -57.177 bonds (distance) P-C4' energy: -75.505 flat angles C4'-P-C4' energy: -71.589 flat angles P-C4'-P energy: -36.408 tors. eta vs tors. theta energy: -41.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -378.653470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.653470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.653470 (E_RNA) where: Base-Base interactions energy: -150.099 where: short stacking energy: -121.117 Base-Backbone interact. energy: -1.679 local terms energy: -226.875697 where: bonds (distance) C4'-P energy: -56.249 bonds (distance) P-C4' energy: -69.500 flat angles C4'-P-C4' energy: -59.306 flat angles P-C4'-P energy: -40.860 tors. eta vs tors. theta energy: -0.960 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: 10 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1503.347287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.347287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.347287 (E_RNA) where: Base-Base interactions energy: -1045.501 where: short stacking energy: -446.029 Base-Backbone interact. energy: 2.611 local terms energy: -460.457285 where: bonds (distance) C4'-P energy: -87.392 bonds (distance) P-C4' energy: -73.309 flat angles C4'-P-C4' energy: -101.513 flat angles P-C4'-P energy: -70.701 tors. eta vs tors. theta energy: -127.542 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: 152 Temperature: 0.950000 Total energy: -1432.307832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.307832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.307832 (E_RNA) where: Base-Base interactions energy: -1007.953 where: short stacking energy: -420.028 Base-Backbone interact. energy: -1.507 local terms energy: -422.847044 where: bonds (distance) C4'-P energy: -81.599 bonds (distance) P-C4' energy: -78.401 flat angles C4'-P-C4' energy: -87.376 flat angles P-C4'-P energy: -68.442 tors. eta vs tors. theta energy: -107.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1370.313606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.313606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.313606 (E_RNA) where: Base-Base interactions energy: -948.473 where: short stacking energy: -400.397 Base-Backbone interact. energy: -4.010 local terms energy: -417.831416 where: bonds (distance) C4'-P energy: -77.345 bonds (distance) P-C4' energy: -81.953 flat angles C4'-P-C4' energy: -90.954 flat angles P-C4'-P energy: -64.505 tors. eta vs tors. theta energy: -103.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1296.465309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.465309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.465309 (E_RNA) where: Base-Base interactions energy: -912.575 where: short stacking energy: -395.437 Base-Backbone interact. energy: -2.869 local terms energy: -381.020592 where: bonds (distance) C4'-P energy: -57.301 bonds (distance) P-C4' energy: -75.894 flat angles C4'-P-C4' energy: -89.417 flat angles P-C4'-P energy: -53.450 tors. eta vs tors. theta energy: -104.958 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: 2 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -1259.601270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.601270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.601270 (E_RNA) where: Base-Base interactions energy: -862.653 where: short stacking energy: -381.343 Base-Backbone interact. energy: -2.414 local terms energy: -394.534227 where: bonds (distance) C4'-P energy: -70.051 bonds (distance) P-C4' energy: -81.873 flat angles C4'-P-C4' energy: -86.339 flat angles P-C4'-P energy: -52.672 tors. eta vs tors. theta energy: -103.600 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: 9 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1116.864865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.864865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.864865 (E_RNA) where: Base-Base interactions energy: -776.127 where: short stacking energy: -357.782 Base-Backbone interact. energy: 1.176 local terms energy: -341.913205 where: bonds (distance) C4'-P energy: -61.861 bonds (distance) P-C4' energy: -64.511 flat angles C4'-P-C4' energy: -87.002 flat angles P-C4'-P energy: -44.781 tors. eta vs tors. theta energy: -83.759 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: 7 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1063.116223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.116223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.116223 (E_RNA) where: Base-Base interactions energy: -730.114 where: short stacking energy: -318.922 Base-Backbone interact. energy: -0.209 local terms energy: -332.793141 where: bonds (distance) C4'-P energy: -55.379 bonds (distance) P-C4' energy: -74.682 flat angles C4'-P-C4' energy: -80.672 flat angles P-C4'-P energy: -43.932 tors. eta vs tors. theta energy: -78.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -790.725409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.725409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.725409 (E_RNA) where: Base-Base interactions energy: -498.060 where: short stacking energy: -241.749 Base-Backbone interact. energy: -1.156 local terms energy: -291.509840 where: bonds (distance) C4'-P energy: -61.431 bonds (distance) P-C4' energy: -67.948 flat angles C4'-P-C4' energy: -72.988 flat angles P-C4'-P energy: -42.711 tors. eta vs tors. theta energy: -46.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -794.658350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.658350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.658350 (E_RNA) where: Base-Base interactions energy: -496.577 where: short stacking energy: -230.240 Base-Backbone interact. energy: -2.346 local terms energy: -295.735946 where: bonds (distance) C4'-P energy: -72.629 bonds (distance) P-C4' energy: -69.695 flat angles C4'-P-C4' energy: -71.899 flat angles P-C4'-P energy: -42.094 tors. eta vs tors. theta energy: -39.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -379.703917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.703917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.703917 (E_RNA) where: Base-Base interactions energy: -152.165 where: short stacking energy: -118.965 Base-Backbone interact. energy: 1.520 local terms energy: -229.059311 where: bonds (distance) C4'-P energy: -68.125 bonds (distance) P-C4' energy: -71.443 flat angles C4'-P-C4' energy: -57.249 flat angles P-C4'-P energy: -36.883 tors. eta vs tors. theta energy: 4.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1519.061363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.061363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.061363 (E_RNA) where: Base-Base interactions energy: -1057.624 where: short stacking energy: -457.816 Base-Backbone interact. energy: -1.354 local terms energy: -460.082994 where: bonds (distance) C4'-P energy: -85.997 bonds (distance) P-C4' energy: -78.736 flat angles C4'-P-C4' energy: -105.096 flat angles P-C4'-P energy: -63.296 tors. eta vs tors. theta energy: -126.958 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: 2, replica: 6 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1447.495467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.495467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.495467 (E_RNA) where: Base-Base interactions energy: -1003.801 where: short stacking energy: -433.117 Base-Backbone interact. energy: -1.884 local terms energy: -441.810089 where: bonds (distance) C4'-P energy: -81.418 bonds (distance) P-C4' energy: -82.657 flat angles C4'-P-C4' energy: -97.521 flat angles P-C4'-P energy: -63.095 tors. eta vs tors. theta energy: -117.119 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: 3, replica: 1 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1393.633515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.633515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.633515 (E_RNA) where: Base-Base interactions energy: -969.269 where: short stacking energy: -395.694 Base-Backbone interact. energy: -0.718 local terms energy: -423.646879 where: bonds (distance) C4'-P energy: -87.241 bonds (distance) P-C4' energy: -85.198 flat angles C4'-P-C4' energy: -90.640 flat angles P-C4'-P energy: -51.141 tors. eta vs tors. theta energy: -109.428 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: 4, replica: 8 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1313.868998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.868998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.868998 (E_RNA) where: Base-Base interactions energy: -878.460 where: short stacking energy: -395.111 Base-Backbone interact. energy: -0.903 local terms energy: -434.505709 where: bonds (distance) C4'-P energy: -84.465 bonds (distance) P-C4' energy: -87.360 flat angles C4'-P-C4' energy: -92.236 flat angles P-C4'-P energy: -58.282 tors. eta vs tors. theta energy: -112.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1276.102274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.102274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.102274 (E_RNA) where: Base-Base interactions energy: -873.671 where: short stacking energy: -416.216 Base-Backbone interact. energy: 0.229 local terms energy: -402.660050 where: bonds (distance) C4'-P energy: -70.292 bonds (distance) P-C4' energy: -67.730 flat angles C4'-P-C4' energy: -88.112 flat angles P-C4'-P energy: -63.475 tors. eta vs tors. theta energy: -113.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1152.240115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.240115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.240115 (E_RNA) where: Base-Base interactions energy: -749.853 where: short stacking energy: -336.670 Base-Backbone interact. energy: 0.326 local terms energy: -402.713269 where: bonds (distance) C4'-P energy: -77.987 bonds (distance) P-C4' energy: -81.447 flat angles C4'-P-C4' energy: -90.983 flat angles P-C4'-P energy: -60.136 tors. eta vs tors. theta energy: -92.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1128.145478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.145478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.145478 (E_RNA) where: Base-Base interactions energy: -785.779 where: short stacking energy: -339.716 Base-Backbone interact. energy: -2.336 local terms energy: -340.031094 where: bonds (distance) C4'-P energy: -56.206 bonds (distance) P-C4' energy: -79.570 flat angles C4'-P-C4' energy: -77.124 flat angles P-C4'-P energy: -50.614 tors. eta vs tors. theta energy: -76.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -844.937117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.937117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.937117 (E_RNA) where: Base-Base interactions energy: -565.106 where: short stacking energy: -259.283 Base-Backbone interact. energy: 5.237 local terms energy: -285.068371 where: bonds (distance) C4'-P energy: -65.077 bonds (distance) P-C4' energy: -69.840 flat angles C4'-P-C4' energy: -63.784 flat angles P-C4'-P energy: -38.925 tors. eta vs tors. theta energy: -47.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -752.480279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.480279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.480279 (E_RNA) where: Base-Base interactions energy: -454.285 where: short stacking energy: -199.070 Base-Backbone interact. energy: -1.498 local terms energy: -296.697330 where: bonds (distance) C4'-P energy: -72.976 bonds (distance) P-C4' energy: -62.884 flat angles C4'-P-C4' energy: -77.569 flat angles P-C4'-P energy: -51.017 tors. eta vs tors. theta energy: -32.252 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: 4 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -405.754279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.754279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.754279 (E_RNA) where: Base-Base interactions energy: -200.239 where: short stacking energy: -144.504 Base-Backbone interact. energy: 5.211 local terms energy: -210.726847 where: bonds (distance) C4'-P energy: -77.681 bonds (distance) P-C4' energy: -57.792 flat angles C4'-P-C4' energy: -55.856 flat angles P-C4'-P energy: -21.664 tors. eta vs tors. theta energy: 2.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1534.270710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.270710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.270710 (E_RNA) where: Base-Base interactions energy: -1057.111 where: short stacking energy: -451.322 Base-Backbone interact. energy: -4.745 local terms energy: -472.414785 where: bonds (distance) C4'-P energy: -87.714 bonds (distance) P-C4' energy: -86.361 flat angles C4'-P-C4' energy: -102.357 flat angles P-C4'-P energy: -63.776 tors. eta vs tors. theta energy: -132.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1441.709652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.709652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.709652 (E_RNA) where: Base-Base interactions energy: -981.200 where: short stacking energy: -418.063 Base-Backbone interact. energy: -1.923 local terms energy: -458.586673 where: bonds (distance) C4'-P energy: -87.133 bonds (distance) P-C4' energy: -78.939 flat angles C4'-P-C4' energy: -104.700 flat angles P-C4'-P energy: -64.858 tors. eta vs tors. theta energy: -122.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1384.255054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.255054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.255054 (E_RNA) where: Base-Base interactions energy: -954.793 where: short stacking energy: -407.092 Base-Backbone interact. energy: -1.834 local terms energy: -427.628342 where: bonds (distance) C4'-P energy: -77.313 bonds (distance) P-C4' energy: -93.484 flat angles C4'-P-C4' energy: -95.513 flat angles P-C4'-P energy: -53.569 tors. eta vs tors. theta energy: -107.750 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: 8 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1339.444591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.444591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.444591 (E_RNA) where: Base-Base interactions energy: -917.477 where: short stacking energy: -419.028 Base-Backbone interact. energy: -1.256 local terms energy: -420.711429 where: bonds (distance) C4'-P energy: -70.915 bonds (distance) P-C4' energy: -84.520 flat angles C4'-P-C4' energy: -90.936 flat angles P-C4'-P energy: -62.487 tors. eta vs tors. theta energy: -111.852 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: 154 Temperature: 1.100000 Total energy: -1313.948505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.948505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.948505 (E_RNA) where: Base-Base interactions energy: -919.050 where: short stacking energy: -395.068 Base-Backbone interact. energy: -0.864 local terms energy: -394.034378 where: bonds (distance) C4'-P energy: -80.896 bonds (distance) P-C4' energy: -75.984 flat angles C4'-P-C4' energy: -79.665 flat angles P-C4'-P energy: -53.120 tors. eta vs tors. theta energy: -104.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1164.121198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.121198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.121198 (E_RNA) where: Base-Base interactions energy: -787.337 where: short stacking energy: -345.274 Base-Backbone interact. energy: -1.260 local terms energy: -375.524435 where: bonds (distance) C4'-P energy: -76.032 bonds (distance) P-C4' energy: -80.052 flat angles C4'-P-C4' energy: -81.722 flat angles P-C4'-P energy: -56.620 tors. eta vs tors. theta energy: -81.098 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: 7, replica: 7 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1088.684868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.684868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.684868 (E_RNA) where: Base-Base interactions energy: -744.788 where: short stacking energy: -322.059 Base-Backbone interact. energy: -0.713 local terms energy: -343.183760 where: bonds (distance) C4'-P energy: -75.533 bonds (distance) P-C4' energy: -79.263 flat angles C4'-P-C4' energy: -65.863 flat angles P-C4'-P energy: -44.267 tors. eta vs tors. theta energy: -78.257 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: 5 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -851.544262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.544262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.544262 (E_RNA) where: Base-Base interactions energy: -543.767 where: short stacking energy: -252.233 Base-Backbone interact. energy: -3.228 local terms energy: -304.548414 where: bonds (distance) C4'-P energy: -65.984 bonds (distance) P-C4' energy: -79.756 flat angles C4'-P-C4' energy: -64.036 flat angles P-C4'-P energy: -47.566 tors. eta vs tors. theta energy: -47.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -737.774557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.774557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.774557 (E_RNA) where: Base-Base interactions energy: -474.286 where: short stacking energy: -220.300 Base-Backbone interact. energy: 2.538 local terms energy: -266.026491 where: bonds (distance) C4'-P energy: -68.512 bonds (distance) P-C4' energy: -71.164 flat angles C4'-P-C4' energy: -67.361 flat angles P-C4'-P energy: -36.719 tors. eta vs tors. theta energy: -22.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -370.147815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.147815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.147815 (E_RNA) where: Base-Base interactions energy: -164.660 where: short stacking energy: -120.331 Base-Backbone interact. energy: -2.533 local terms energy: -202.954244 where: bonds (distance) C4'-P energy: -65.056 bonds (distance) P-C4' energy: -73.259 flat angles C4'-P-C4' energy: -56.418 flat angles P-C4'-P energy: -27.380 tors. eta vs tors. theta energy: 19.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1506.988992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.988992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.988992 (E_RNA) where: Base-Base interactions energy: -1049.142 where: short stacking energy: -456.752 Base-Backbone interact. energy: -3.209 local terms energy: -454.637885 where: bonds (distance) C4'-P energy: -75.883 bonds (distance) P-C4' energy: -91.787 flat angles C4'-P-C4' energy: -96.502 flat angles P-C4'-P energy: -58.457 tors. eta vs tors. theta energy: -132.009 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: 6 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1417.667976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.667976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.667976 (E_RNA) where: Base-Base interactions energy: -987.710 where: short stacking energy: -424.425 Base-Backbone interact. energy: -2.179 local terms energy: -427.778556 where: bonds (distance) C4'-P energy: -81.128 bonds (distance) P-C4' energy: -79.321 flat angles C4'-P-C4' energy: -92.880 flat angles P-C4'-P energy: -56.855 tors. eta vs tors. theta energy: -117.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1371.763179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.763179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.763179 (E_RNA) where: Base-Base interactions energy: -948.538 where: short stacking energy: -394.700 Base-Backbone interact. energy: -2.656 local terms energy: -420.569079 where: bonds (distance) C4'-P energy: -86.668 bonds (distance) P-C4' energy: -85.685 flat angles C4'-P-C4' energy: -91.828 flat angles P-C4'-P energy: -59.122 tors. eta vs tors. theta energy: -97.266 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: 2 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1323.102984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.102984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.102984 (E_RNA) where: Base-Base interactions energy: -928.962 where: short stacking energy: -408.604 Base-Backbone interact. energy: 1.376 local terms energy: -395.516691 where: bonds (distance) C4'-P energy: -67.913 bonds (distance) P-C4' energy: -76.990 flat angles C4'-P-C4' energy: -91.815 flat angles P-C4'-P energy: -51.537 tors. eta vs tors. theta energy: -107.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1308.375823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.375823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.375823 (E_RNA) where: Base-Base interactions energy: -923.191 where: short stacking energy: -387.993 Base-Backbone interact. energy: -0.138 local terms energy: -385.047353 where: bonds (distance) C4'-P energy: -72.549 bonds (distance) P-C4' energy: -75.429 flat angles C4'-P-C4' energy: -82.520 flat angles P-C4'-P energy: -52.203 tors. eta vs tors. theta energy: -102.347 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: 6, replica: 9 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1158.156634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.156634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.156634 (E_RNA) where: Base-Base interactions energy: -783.833 where: short stacking energy: -345.354 Base-Backbone interact. energy: -0.035 local terms energy: -374.289123 where: bonds (distance) C4'-P energy: -71.282 bonds (distance) P-C4' energy: -70.883 flat angles C4'-P-C4' energy: -90.257 flat angles P-C4'-P energy: -44.742 tors. eta vs tors. theta energy: -97.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1095.612094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.612094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.612094 (E_RNA) where: Base-Base interactions energy: -739.841 where: short stacking energy: -320.822 Base-Backbone interact. energy: 0.634 local terms energy: -356.404667 where: bonds (distance) C4'-P energy: -63.283 bonds (distance) P-C4' energy: -79.307 flat angles C4'-P-C4' energy: -88.500 flat angles P-C4'-P energy: -44.835 tors. eta vs tors. theta energy: -80.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -856.019688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.019688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.019688 (E_RNA) where: Base-Base interactions energy: -571.520 where: short stacking energy: -258.867 Base-Backbone interact. energy: -1.234 local terms energy: -283.266335 where: bonds (distance) C4'-P energy: -74.907 bonds (distance) P-C4' energy: -63.140 flat angles C4'-P-C4' energy: -65.650 flat angles P-C4'-P energy: -32.367 tors. eta vs tors. theta energy: -47.202 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: 3 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -734.584514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.584514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.584514 (E_RNA) where: Base-Base interactions energy: -456.661 where: short stacking energy: -221.242 Base-Backbone interact. energy: -1.330 local terms energy: -276.593095 where: bonds (distance) C4'-P energy: -64.045 bonds (distance) P-C4' energy: -73.290 flat angles C4'-P-C4' energy: -68.801 flat angles P-C4'-P energy: -38.032 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: 10, replica: 4 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -349.073717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.073717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.073717 (E_RNA) where: Base-Base interactions energy: -115.141 where: short stacking energy: -91.994 Base-Backbone interact. energy: -1.000 local terms energy: -232.933235 where: bonds (distance) C4'-P energy: -66.620 bonds (distance) P-C4' energy: -79.604 flat angles C4'-P-C4' energy: -56.614 flat angles P-C4'-P energy: -34.047 tors. eta vs tors. theta energy: 3.952 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: 156 Temperature: 0.900000 Total energy: -1508.321457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.321457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.321457 (E_RNA) where: Base-Base interactions energy: -1058.001 where: short stacking energy: -459.056 Base-Backbone interact. energy: -3.715 local terms energy: -446.605676 where: bonds (distance) C4'-P energy: -87.152 bonds (distance) P-C4' energy: -77.190 flat angles C4'-P-C4' energy: -97.278 flat angles P-C4'-P energy: -58.676 tors. eta vs tors. theta energy: -126.309 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: 6 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1425.060638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.060638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.060638 (E_RNA) where: Base-Base interactions energy: -978.687 where: short stacking energy: -424.154 Base-Backbone interact. energy: 0.987 local terms energy: -447.361107 where: bonds (distance) C4'-P energy: -82.093 bonds (distance) P-C4' energy: -79.799 flat angles C4'-P-C4' energy: -94.796 flat angles P-C4'-P energy: -65.240 tors. eta vs tors. theta energy: -125.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1348.514918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.514918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.514918 (E_RNA) where: Base-Base interactions energy: -940.980 where: short stacking energy: -384.285 Base-Backbone interact. energy: -2.012 local terms energy: -405.522689 where: bonds (distance) C4'-P energy: -74.864 bonds (distance) P-C4' energy: -81.304 flat angles C4'-P-C4' energy: -91.155 flat angles P-C4'-P energy: -58.816 tors. eta vs tors. theta energy: -99.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1376.552638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.552638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.552638 (E_RNA) where: Base-Base interactions energy: -940.731 where: short stacking energy: -418.994 Base-Backbone interact. energy: 0.670 local terms energy: -436.492088 where: bonds (distance) C4'-P energy: -91.912 bonds (distance) P-C4' energy: -68.935 flat angles C4'-P-C4' energy: -95.218 flat angles P-C4'-P energy: -69.298 tors. eta vs tors. theta energy: -111.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1344.649115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.649115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.649115 (E_RNA) where: Base-Base interactions energy: -913.202 where: short stacking energy: -425.410 Base-Backbone interact. energy: -2.071 local terms energy: -429.376407 where: bonds (distance) C4'-P energy: -79.796 bonds (distance) P-C4' energy: -80.075 flat angles C4'-P-C4' energy: -85.480 flat angles P-C4'-P energy: -63.110 tors. eta vs tors. theta energy: -120.916 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: 9 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1184.962017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.962017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.962017 (E_RNA) where: Base-Base interactions energy: -806.086 where: short stacking energy: -368.529 Base-Backbone interact. energy: -1.359 local terms energy: -377.517124 where: bonds (distance) C4'-P energy: -70.715 bonds (distance) P-C4' energy: -62.516 flat angles C4'-P-C4' energy: -86.833 flat angles P-C4'-P energy: -54.033 tors. eta vs tors. theta energy: -103.420 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: 7, replica: 7 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1158.794682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.794682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.794682 (E_RNA) where: Base-Base interactions energy: -799.788 where: short stacking energy: -336.508 Base-Backbone interact. energy: -0.849 local terms energy: -358.157446 where: bonds (distance) C4'-P energy: -83.468 bonds (distance) P-C4' energy: -64.996 flat angles C4'-P-C4' energy: -67.453 flat angles P-C4'-P energy: -55.062 tors. eta vs tors. theta energy: -87.178 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: 5 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -868.854157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.854157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.854157 (E_RNA) where: Base-Base interactions energy: -586.671 where: short stacking energy: -274.491 Base-Backbone interact. energy: 1.677 local terms energy: -283.860783 where: bonds (distance) C4'-P energy: -56.588 bonds (distance) P-C4' energy: -67.271 flat angles C4'-P-C4' energy: -70.031 flat angles P-C4'-P energy: -27.547 tors. eta vs tors. theta energy: -62.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -740.978538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.978538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.978538 (E_RNA) where: Base-Base interactions energy: -458.700 where: short stacking energy: -227.126 Base-Backbone interact. energy: -0.897 local terms energy: -281.381369 where: bonds (distance) C4'-P energy: -73.745 bonds (distance) P-C4' energy: -57.495 flat angles C4'-P-C4' energy: -65.847 flat angles P-C4'-P energy: -36.462 tors. eta vs tors. theta energy: -47.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -342.251854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.251854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.251854 (E_RNA) where: Base-Base interactions energy: -145.195 where: short stacking energy: -123.912 Base-Backbone interact. energy: -0.430 local terms energy: -196.627256 where: bonds (distance) C4'-P energy: -57.917 bonds (distance) P-C4' energy: -77.591 flat angles C4'-P-C4' energy: -61.961 flat angles P-C4'-P energy: -11.357 tors. eta vs tors. theta energy: 12.199 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: 10 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1499.205421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.205421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.205421 (E_RNA) where: Base-Base interactions energy: -1054.475 where: short stacking energy: -442.665 Base-Backbone interact. energy: 0.899 local terms energy: -445.630229 where: bonds (distance) C4'-P energy: -74.746 bonds (distance) P-C4' energy: -90.066 flat angles C4'-P-C4' energy: -97.695 flat angles P-C4'-P energy: -53.817 tors. eta vs tors. theta energy: -129.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1415.182893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.182893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.182893 (E_RNA) where: Base-Base interactions energy: -987.493 where: short stacking energy: -413.283 Base-Backbone interact. energy: 0.053 local terms energy: -427.743139 where: bonds (distance) C4'-P energy: -67.072 bonds (distance) P-C4' energy: -86.360 flat angles C4'-P-C4' energy: -96.453 flat angles P-C4'-P energy: -62.954 tors. eta vs tors. theta energy: -114.904 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: 1 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1367.924164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.924164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.924164 (E_RNA) where: Base-Base interactions energy: -964.451 where: short stacking energy: -414.977 Base-Backbone interact. energy: -4.273 local terms energy: -399.199488 where: bonds (distance) C4'-P energy: -62.437 bonds (distance) P-C4' energy: -79.178 flat angles C4'-P-C4' energy: -89.294 flat angles P-C4'-P energy: -56.472 tors. eta vs tors. theta energy: -111.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1355.031470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.031470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.031470 (E_RNA) where: Base-Base interactions energy: -961.121 where: short stacking energy: -432.192 Base-Backbone interact. energy: 0.181 local terms energy: -394.090978 where: bonds (distance) C4'-P energy: -62.390 bonds (distance) P-C4' energy: -81.187 flat angles C4'-P-C4' energy: -83.325 flat angles P-C4'-P energy: -48.698 tors. eta vs tors. theta energy: -118.490 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: 5, replica: 8 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1311.965653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.965653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.965653 (E_RNA) where: Base-Base interactions energy: -909.359 where: short stacking energy: -425.191 Base-Backbone interact. energy: -2.213 local terms energy: -400.393559 where: bonds (distance) C4'-P energy: -75.651 bonds (distance) P-C4' energy: -81.117 flat angles C4'-P-C4' energy: -86.043 flat angles P-C4'-P energy: -48.543 tors. eta vs tors. theta energy: -109.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1188.318951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.318951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.318951 (E_RNA) where: Base-Base interactions energy: -804.142 where: short stacking energy: -328.567 Base-Backbone interact. energy: -1.288 local terms energy: -382.889229 where: bonds (distance) C4'-P energy: -77.046 bonds (distance) P-C4' energy: -74.292 flat angles C4'-P-C4' energy: -82.871 flat angles P-C4'-P energy: -53.371 tors. eta vs tors. theta energy: -95.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1121.101776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.101776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.101776 (E_RNA) where: Base-Base interactions energy: -779.641 where: short stacking energy: -318.967 Base-Backbone interact. energy: -0.907 local terms energy: -340.553695 where: bonds (distance) C4'-P energy: -67.858 bonds (distance) P-C4' energy: -60.012 flat angles C4'-P-C4' energy: -75.684 flat angles P-C4'-P energy: -48.097 tors. eta vs tors. theta energy: -88.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -844.967426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.967426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.967426 (E_RNA) where: Base-Base interactions energy: -552.329 where: short stacking energy: -249.787 Base-Backbone interact. energy: 0.869 local terms energy: -293.507927 where: bonds (distance) C4'-P energy: -64.268 bonds (distance) P-C4' energy: -71.129 flat angles C4'-P-C4' energy: -79.926 flat angles P-C4'-P energy: -33.970 tors. eta vs tors. theta energy: -44.215 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: 3 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -693.354913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.354913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.354913 (E_RNA) where: Base-Base interactions energy: -438.299 where: short stacking energy: -202.219 Base-Backbone interact. energy: 1.275 local terms energy: -256.331382 where: bonds (distance) C4'-P energy: -58.418 bonds (distance) P-C4' energy: -72.065 flat angles C4'-P-C4' energy: -67.427 flat angles P-C4'-P energy: -40.147 tors. eta vs tors. theta energy: -18.275 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: 4 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -371.810013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.810013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.810013 (E_RNA) where: Base-Base interactions energy: -153.297 where: short stacking energy: -135.843 Base-Backbone interact. energy: 2.940 local terms energy: -221.453058 where: bonds (distance) C4'-P energy: -67.987 bonds (distance) P-C4' energy: -66.600 flat angles C4'-P-C4' energy: -60.091 flat angles P-C4'-P energy: -21.547 tors. eta vs tors. theta energy: -5.229 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: 158 Temperature: 0.900000 Total energy: -1512.637305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.637305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.637305 (E_RNA) where: Base-Base interactions energy: -1066.988 where: short stacking energy: -436.771 Base-Backbone interact. energy: -3.042 local terms energy: -442.607368 where: bonds (distance) C4'-P energy: -89.833 bonds (distance) P-C4' energy: -82.377 flat angles C4'-P-C4' energy: -88.585 flat angles P-C4'-P energy: -59.839 tors. eta vs tors. theta energy: -121.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1443.187345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.187345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.187345 (E_RNA) where: Base-Base interactions energy: -986.600 where: short stacking energy: -402.221 Base-Backbone interact. energy: -2.198 local terms energy: -454.389197 where: bonds (distance) C4'-P energy: -76.531 bonds (distance) P-C4' energy: -92.585 flat angles C4'-P-C4' energy: -97.487 flat angles P-C4'-P energy: -68.047 tors. eta vs tors. theta energy: -119.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1350.681294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.681294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.681294 (E_RNA) where: Base-Base interactions energy: -955.686 where: short stacking energy: -401.385 Base-Backbone interact. energy: -1.270 local terms energy: -393.725502 where: bonds (distance) C4'-P energy: -73.306 bonds (distance) P-C4' energy: -84.161 flat angles C4'-P-C4' energy: -80.220 flat angles P-C4'-P energy: -52.540 tors. eta vs tors. theta energy: -103.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1379.093285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.093285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.093285 (E_RNA) where: Base-Base interactions energy: -957.799 where: short stacking energy: -427.547 Base-Backbone interact. energy: 0.147 local terms energy: -421.441800 where: bonds (distance) C4'-P energy: -74.210 bonds (distance) P-C4' energy: -84.348 flat angles C4'-P-C4' energy: -84.803 flat angles P-C4'-P energy: -53.643 tors. eta vs tors. theta energy: -124.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -1285.131628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.131628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.131628 (E_RNA) where: Base-Base interactions energy: -883.356 where: short stacking energy: -393.689 Base-Backbone interact. energy: -0.627 local terms energy: -401.147692 where: bonds (distance) C4'-P energy: -74.394 bonds (distance) P-C4' energy: -80.440 flat angles C4'-P-C4' energy: -93.355 flat angles P-C4'-P energy: -52.867 tors. eta vs tors. theta energy: -100.090 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: 9 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1184.125710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.125710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.125710 (E_RNA) where: Base-Base interactions energy: -794.751 where: short stacking energy: -364.463 Base-Backbone interact. energy: -1.226 local terms energy: -388.149223 where: bonds (distance) C4'-P energy: -72.178 bonds (distance) P-C4' energy: -73.605 flat angles C4'-P-C4' energy: -94.415 flat angles P-C4'-P energy: -57.748 tors. eta vs tors. theta energy: -90.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1104.888438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.888438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.888438 (E_RNA) where: Base-Base interactions energy: -747.991 where: short stacking energy: -324.536 Base-Backbone interact. energy: 0.691 local terms energy: -357.587907 where: bonds (distance) C4'-P energy: -61.180 bonds (distance) P-C4' energy: -83.704 flat angles C4'-P-C4' energy: -73.112 flat angles P-C4'-P energy: -46.364 tors. eta vs tors. theta energy: -93.228 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: 158 Temperature: 1.250000 Total energy: -784.954197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.954197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.954197 (E_RNA) where: Base-Base interactions energy: -469.915 where: short stacking energy: -229.557 Base-Backbone interact. energy: 5.831 local terms energy: -320.870482 where: bonds (distance) C4'-P energy: -74.717 bonds (distance) P-C4' energy: -84.273 flat angles C4'-P-C4' energy: -72.787 flat angles P-C4'-P energy: -41.216 tors. eta vs tors. theta energy: -47.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -759.724744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.724744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.724744 (E_RNA) where: Base-Base interactions energy: -467.451 where: short stacking energy: -243.790 Base-Backbone interact. energy: -0.222 local terms energy: -292.051474 where: bonds (distance) C4'-P energy: -64.646 bonds (distance) P-C4' energy: -70.993 flat angles C4'-P-C4' energy: -72.794 flat angles P-C4'-P energy: -32.023 tors. eta vs tors. theta energy: -51.594 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: 4 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -362.044432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.044432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.044432 (E_RNA) where: Base-Base interactions energy: -164.960 where: short stacking energy: -122.415 Base-Backbone interact. energy: -1.745 local terms energy: -195.339066 where: bonds (distance) C4'-P energy: -62.718 bonds (distance) P-C4' energy: -68.886 flat angles C4'-P-C4' energy: -37.082 flat angles P-C4'-P energy: -39.756 tors. eta vs tors. theta energy: 13.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1516.967629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.967629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.967629 (E_RNA) where: Base-Base interactions energy: -1064.080 where: short stacking energy: -427.084 Base-Backbone interact. energy: -1.876 local terms energy: -451.011452 where: bonds (distance) C4'-P energy: -82.434 bonds (distance) P-C4' energy: -87.787 flat angles C4'-P-C4' energy: -100.383 flat angles P-C4'-P energy: -54.752 tors. eta vs tors. theta energy: -125.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1409.355533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.355533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.355533 (E_RNA) where: Base-Base interactions energy: -950.324 where: short stacking energy: -401.564 Base-Backbone interact. energy: -2.684 local terms energy: -456.346980 where: bonds (distance) C4'-P energy: -87.212 bonds (distance) P-C4' energy: -90.069 flat angles C4'-P-C4' energy: -99.219 flat angles P-C4'-P energy: -66.938 tors. eta vs tors. theta energy: -112.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1361.963014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.963014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.963014 (E_RNA) where: Base-Base interactions energy: -957.728 where: short stacking energy: -399.854 Base-Backbone interact. energy: -2.718 local terms energy: -401.517649 where: bonds (distance) C4'-P energy: -78.282 bonds (distance) P-C4' energy: -82.914 flat angles C4'-P-C4' energy: -80.633 flat angles P-C4'-P energy: -56.680 tors. eta vs tors. theta energy: -103.009 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: 2 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1392.741267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.741267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.741267 (E_RNA) where: Base-Base interactions energy: -978.085 where: short stacking energy: -432.990 Base-Backbone interact. energy: 2.018 local terms energy: -416.674186 where: bonds (distance) C4'-P energy: -82.130 bonds (distance) P-C4' energy: -77.451 flat angles C4'-P-C4' energy: -93.819 flat angles P-C4'-P energy: -62.384 tors. eta vs tors. theta energy: -100.890 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: 5, replica: 8 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1303.228608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.228608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.228608 (E_RNA) where: Base-Base interactions energy: -887.689 where: short stacking energy: -382.548 Base-Backbone interact. energy: -0.081 local terms energy: -415.459170 where: bonds (distance) C4'-P energy: -75.661 bonds (distance) P-C4' energy: -82.523 flat angles C4'-P-C4' energy: -84.634 flat angles P-C4'-P energy: -69.351 tors. eta vs tors. theta energy: -103.290 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: 159 Temperature: 1.150000 Total energy: -1168.207799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.207799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.207799 (E_RNA) where: Base-Base interactions energy: -784.402 where: short stacking energy: -337.920 Base-Backbone interact. energy: -0.877 local terms energy: -382.928570 where: bonds (distance) C4'-P energy: -69.606 bonds (distance) P-C4' energy: -73.474 flat angles C4'-P-C4' energy: -86.105 flat angles P-C4'-P energy: -62.500 tors. eta vs tors. theta energy: -91.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1040.916529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.916529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.916529 (E_RNA) where: Base-Base interactions energy: -680.592 where: short stacking energy: -287.085 Base-Backbone interact. energy: -1.068 local terms energy: -359.256323 where: bonds (distance) C4'-P energy: -86.667 bonds (distance) P-C4' energy: -76.612 flat angles C4'-P-C4' energy: -76.081 flat angles P-C4'-P energy: -43.255 tors. eta vs tors. theta energy: -76.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -733.801071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.801071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.801071 (E_RNA) where: Base-Base interactions energy: -462.654 where: short stacking energy: -227.289 Base-Backbone interact. energy: -2.636 local terms energy: -268.511547 where: bonds (distance) C4'-P energy: -69.561 bonds (distance) P-C4' energy: -61.632 flat angles C4'-P-C4' energy: -67.270 flat angles P-C4'-P energy: -32.105 tors. eta vs tors. theta energy: -37.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -752.046369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.046369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.046369 (E_RNA) where: Base-Base interactions energy: -466.233 where: short stacking energy: -219.749 Base-Backbone interact. energy: 1.322 local terms energy: -287.135777 where: bonds (distance) C4'-P energy: -68.438 bonds (distance) P-C4' energy: -67.846 flat angles C4'-P-C4' energy: -67.078 flat angles P-C4'-P energy: -46.535 tors. eta vs tors. theta energy: -37.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -356.658466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.658466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.658466 (E_RNA) where: Base-Base interactions energy: -126.813 where: short stacking energy: -91.062 Base-Backbone interact. energy: -2.859 local terms energy: -226.985665 where: bonds (distance) C4'-P energy: -61.572 bonds (distance) P-C4' energy: -69.292 flat angles C4'-P-C4' energy: -68.509 flat angles P-C4'-P energy: -34.249 tors. eta vs tors. theta energy: 6.635 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: 1, replica: 10 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1524.782961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.782961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.782961 (E_RNA) where: Base-Base interactions energy: -1101.109 where: short stacking energy: -450.850 Base-Backbone interact. energy: -2.268 local terms energy: -421.405347 where: bonds (distance) C4'-P energy: -81.075 bonds (distance) P-C4' energy: -74.175 flat angles C4'-P-C4' energy: -93.280 flat angles P-C4'-P energy: -42.462 tors. eta vs tors. theta energy: -130.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1407.338539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.338539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.338539 (E_RNA) where: Base-Base interactions energy: -972.847 where: short stacking energy: -425.574 Base-Backbone interact. energy: -1.597 local terms energy: -432.895115 where: bonds (distance) C4'-P energy: -83.603 bonds (distance) P-C4' energy: -82.004 flat angles C4'-P-C4' energy: -89.566 flat angles P-C4'-P energy: -61.484 tors. eta vs tors. theta energy: -116.237 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: 1 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1374.348271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.348271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.348271 (E_RNA) where: Base-Base interactions energy: -956.194 where: short stacking energy: -406.151 Base-Backbone interact. energy: 1.216 local terms energy: -419.369903 where: bonds (distance) C4'-P energy: -85.248 bonds (distance) P-C4' energy: -85.425 flat angles C4'-P-C4' energy: -84.509 flat angles P-C4'-P energy: -59.024 tors. eta vs tors. theta energy: -105.165 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: 2 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1379.907181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.907181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.907181 (E_RNA) where: Base-Base interactions energy: -957.024 where: short stacking energy: -415.828 Base-Backbone interact. energy: -2.846 local terms energy: -420.037209 where: bonds (distance) C4'-P energy: -70.426 bonds (distance) P-C4' energy: -93.831 flat angles C4'-P-C4' energy: -78.999 flat angles P-C4'-P energy: -63.721 tors. eta vs tors. theta energy: -113.060 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: 8 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1297.344808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.344808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.344808 (E_RNA) where: Base-Base interactions energy: -886.936 where: short stacking energy: -397.158 Base-Backbone interact. energy: -3.725 local terms energy: -406.683182 where: bonds (distance) C4'-P energy: -72.095 bonds (distance) P-C4' energy: -79.004 flat angles C4'-P-C4' energy: -85.824 flat angles P-C4'-P energy: -58.487 tors. eta vs tors. theta energy: -111.274 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: 9 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1151.011773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.011773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.011773 (E_RNA) where: Base-Base interactions energy: -795.648 where: short stacking energy: -339.962 Base-Backbone interact. energy: 4.844 local terms energy: -360.207737 where: bonds (distance) C4'-P energy: -67.538 bonds (distance) P-C4' energy: -69.800 flat angles C4'-P-C4' energy: -88.468 flat angles P-C4'-P energy: -53.750 tors. eta vs tors. theta energy: -80.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1054.413614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.413614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.413614 (E_RNA) where: Base-Base interactions energy: -705.969 where: short stacking energy: -307.931 Base-Backbone interact. energy: -2.862 local terms energy: -345.583030 where: bonds (distance) C4'-P energy: -83.440 bonds (distance) P-C4' energy: -65.045 flat angles C4'-P-C4' energy: -82.062 flat angles P-C4'-P energy: -45.239 tors. eta vs tors. theta energy: -69.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -757.753855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.753855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.753855 (E_RNA) where: Base-Base interactions energy: -467.497 where: short stacking energy: -231.050 Base-Backbone interact. energy: 2.321 local terms energy: -292.577593 where: bonds (distance) C4'-P energy: -71.666 bonds (distance) P-C4' energy: -70.829 flat angles C4'-P-C4' energy: -80.107 flat angles P-C4'-P energy: -35.700 tors. eta vs tors. theta energy: -34.276 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: 5 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -790.772725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.772725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.772725 (E_RNA) where: Base-Base interactions energy: -500.852 where: short stacking energy: -248.296 Base-Backbone interact. energy: -1.159 local terms energy: -288.762239 where: bonds (distance) C4'-P energy: -61.161 bonds (distance) P-C4' energy: -57.419 flat angles C4'-P-C4' energy: -79.264 flat angles P-C4'-P energy: -40.797 tors. eta vs tors. theta energy: -50.121 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: 4 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -343.214071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.214071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.214071 (E_RNA) where: Base-Base interactions energy: -116.229 where: short stacking energy: -103.235 Base-Backbone interact. energy: 2.043 local terms energy: -229.028335 where: bonds (distance) C4'-P energy: -72.518 bonds (distance) P-C4' energy: -71.456 flat angles C4'-P-C4' energy: -56.314 flat angles P-C4'-P energy: -35.366 tors. eta vs tors. theta energy: 6.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1510.120990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.120990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.120990 (E_RNA) where: Base-Base interactions energy: -1052.393 where: short stacking energy: -430.505 Base-Backbone interact. energy: -2.223 local terms energy: -455.505280 where: bonds (distance) C4'-P energy: -85.341 bonds (distance) P-C4' energy: -87.844 flat angles C4'-P-C4' energy: -92.758 flat angles P-C4'-P energy: -63.978 tors. eta vs tors. theta energy: -125.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1410.692408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.692408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.692408 (E_RNA) where: Base-Base interactions energy: -987.656 where: short stacking energy: -421.837 Base-Backbone interact. energy: 1.487 local terms energy: -424.524020 where: bonds (distance) C4'-P energy: -85.985 bonds (distance) P-C4' energy: -82.452 flat angles C4'-P-C4' energy: -86.609 flat angles P-C4'-P energy: -66.465 tors. eta vs tors. theta energy: -103.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1377.435856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.435856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.435856 (E_RNA) where: Base-Base interactions energy: -953.351 where: short stacking energy: -409.971 Base-Backbone interact. energy: 1.257 local terms energy: -425.341704 where: bonds (distance) C4'-P energy: -82.721 bonds (distance) P-C4' energy: -86.474 flat angles C4'-P-C4' energy: -87.516 flat angles P-C4'-P energy: -61.023 tors. eta vs tors. theta energy: -107.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1389.204077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.204077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.204077 (E_RNA) where: Base-Base interactions energy: -988.215 where: short stacking energy: -428.684 Base-Backbone interact. energy: -2.207 local terms energy: -398.782519 where: bonds (distance) C4'-P energy: -58.823 bonds (distance) P-C4' energy: -85.351 flat angles C4'-P-C4' energy: -83.769 flat angles P-C4'-P energy: -58.721 tors. eta vs tors. theta energy: -112.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1321.686291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.686291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.686291 (E_RNA) where: Base-Base interactions energy: -929.065 where: short stacking energy: -413.141 Base-Backbone interact. energy: -1.009 local terms energy: -391.612341 where: bonds (distance) C4'-P energy: -66.923 bonds (distance) P-C4' energy: -54.552 flat angles C4'-P-C4' energy: -94.768 flat angles P-C4'-P energy: -60.703 tors. eta vs tors. theta energy: -114.667 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: 9 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1150.016954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.016954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.016954 (E_RNA) where: Base-Base interactions energy: -770.689 where: short stacking energy: -348.067 Base-Backbone interact. energy: -0.231 local terms energy: -379.097418 where: bonds (distance) C4'-P energy: -74.257 bonds (distance) P-C4' energy: -79.707 flat angles C4'-P-C4' energy: -89.530 flat angles P-C4'-P energy: -50.134 tors. eta vs tors. theta energy: -85.469 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: 7 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1055.179778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.179778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.179778 (E_RNA) where: Base-Base interactions energy: -724.788 where: short stacking energy: -315.178 Base-Backbone interact. energy: -1.873 local terms energy: -328.518163 where: bonds (distance) C4'-P energy: -72.484 bonds (distance) P-C4' energy: -83.159 flat angles C4'-P-C4' energy: -64.418 flat angles P-C4'-P energy: -35.949 tors. eta vs tors. theta energy: -72.508 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: 3 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -789.360465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.360465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.360465 (E_RNA) where: Base-Base interactions energy: -500.044 where: short stacking energy: -245.786 Base-Backbone interact. energy: -0.901 local terms energy: -288.416096 where: bonds (distance) C4'-P energy: -76.032 bonds (distance) P-C4' energy: -55.498 flat angles C4'-P-C4' energy: -80.559 flat angles P-C4'-P energy: -36.680 tors. eta vs tors. theta energy: -39.647 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: 5 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -742.794547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.794547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.794547 (E_RNA) where: Base-Base interactions energy: -444.454 where: short stacking energy: -219.968 Base-Backbone interact. energy: 0.688 local terms energy: -299.029126 where: bonds (distance) C4'-P energy: -76.210 bonds (distance) P-C4' energy: -74.320 flat angles C4'-P-C4' energy: -69.764 flat angles P-C4'-P energy: -39.625 tors. eta vs tors. theta energy: -39.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -356.960935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.960935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.960935 (E_RNA) where: Base-Base interactions energy: -129.212 where: short stacking energy: -101.470 Base-Backbone interact. energy: 3.643 local terms energy: -231.392060 where: bonds (distance) C4'-P energy: -69.231 bonds (distance) P-C4' energy: -65.180 flat angles C4'-P-C4' energy: -64.923 flat angles P-C4'-P energy: -43.443 tors. eta vs tors. theta energy: 11.385 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: 10 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1502.311592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.311592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.311592 (E_RNA) where: Base-Base interactions energy: -1070.914 where: short stacking energy: -430.373 Base-Backbone interact. energy: -3.775 local terms energy: -427.622791 where: bonds (distance) C4'-P energy: -68.160 bonds (distance) P-C4' energy: -73.878 flat angles C4'-P-C4' energy: -90.990 flat angles P-C4'-P energy: -59.938 tors. eta vs tors. theta energy: -134.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1430.727687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.727687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.727687 (E_RNA) where: Base-Base interactions energy: -999.669 where: short stacking energy: -408.979 Base-Backbone interact. energy: -3.338 local terms energy: -427.720765 where: bonds (distance) C4'-P energy: -81.976 bonds (distance) P-C4' energy: -84.340 flat angles C4'-P-C4' energy: -86.066 flat angles P-C4'-P energy: -61.428 tors. eta vs tors. theta energy: -113.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1432.233568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.233568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.233568 (E_RNA) where: Base-Base interactions energy: -991.145 where: short stacking energy: -422.648 Base-Backbone interact. energy: 2.701 local terms energy: -443.790096 where: bonds (distance) C4'-P energy: -84.161 bonds (distance) P-C4' energy: -84.329 flat angles C4'-P-C4' energy: -96.990 flat angles P-C4'-P energy: -66.776 tors. eta vs tors. theta energy: -111.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1347.421536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.421536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.421536 (E_RNA) where: Base-Base interactions energy: -954.084 where: short stacking energy: -412.686 Base-Backbone interact. energy: -1.411 local terms energy: -391.926703 where: bonds (distance) C4'-P energy: -68.992 bonds (distance) P-C4' energy: -80.862 flat angles C4'-P-C4' energy: -86.535 flat angles P-C4'-P energy: -57.294 tors. eta vs tors. theta energy: -98.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1301.198173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.198173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.198173 (E_RNA) where: Base-Base interactions energy: -897.819 where: short stacking energy: -389.761 Base-Backbone interact. energy: 0.101 local terms energy: -403.479996 where: bonds (distance) C4'-P energy: -73.691 bonds (distance) P-C4' energy: -76.175 flat angles C4'-P-C4' energy: -86.753 flat angles P-C4'-P energy: -60.175 tors. eta vs tors. theta energy: -106.686 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: 162 Temperature: 1.150000 Total energy: -1154.249734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.249734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.249734 (E_RNA) where: Base-Base interactions energy: -788.402 where: short stacking energy: -347.616 Base-Backbone interact. energy: -1.584 local terms energy: -364.263151 where: bonds (distance) C4'-P energy: -65.725 bonds (distance) P-C4' energy: -72.293 flat angles C4'-P-C4' energy: -90.004 flat angles P-C4'-P energy: -58.638 tors. eta vs tors. theta energy: -77.604 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: 162 Temperature: 1.200000 Total energy: -1121.596176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.596176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.596176 (E_RNA) where: Base-Base interactions energy: -731.483 where: short stacking energy: -324.751 Base-Backbone interact. energy: -0.524 local terms energy: -389.589544 where: bonds (distance) C4'-P energy: -73.423 bonds (distance) P-C4' energy: -79.975 flat angles C4'-P-C4' energy: -84.121 flat angles P-C4'-P energy: -67.223 tors. eta vs tors. theta energy: -84.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -822.197644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.197644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.197644 (E_RNA) where: Base-Base interactions energy: -528.111 where: short stacking energy: -256.593 Base-Backbone interact. energy: 0.037 local terms energy: -294.123971 where: bonds (distance) C4'-P energy: -66.001 bonds (distance) P-C4' energy: -63.210 flat angles C4'-P-C4' energy: -68.600 flat angles P-C4'-P energy: -49.352 tors. eta vs tors. theta energy: -46.961 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: 5 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -666.614861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.614861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.614861 (E_RNA) where: Base-Base interactions energy: -411.038 where: short stacking energy: -217.166 Base-Backbone interact. energy: 1.608 local terms energy: -257.184884 where: bonds (distance) C4'-P energy: -64.177 bonds (distance) P-C4' energy: -65.002 flat angles C4'-P-C4' energy: -57.138 flat angles P-C4'-P energy: -29.592 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: 10, replica: 4 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -354.545667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.545667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.545667 (E_RNA) where: Base-Base interactions energy: -136.036 where: short stacking energy: -110.471 Base-Backbone interact. energy: -0.214 local terms energy: -218.295670 where: bonds (distance) C4'-P energy: -70.592 bonds (distance) P-C4' energy: -63.439 flat angles C4'-P-C4' energy: -61.555 flat angles P-C4'-P energy: -32.054 tors. eta vs tors. theta energy: 9.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1483.836402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.836402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.836402 (E_RNA) where: Base-Base interactions energy: -1048.899 where: short stacking energy: -412.893 Base-Backbone interact. energy: 1.837 local terms energy: -436.774791 where: bonds (distance) C4'-P energy: -86.588 bonds (distance) P-C4' energy: -83.814 flat angles C4'-P-C4' energy: -91.838 flat angles P-C4'-P energy: -55.700 tors. eta vs tors. theta energy: -118.835 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: 1 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1445.968084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.968084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.968084 (E_RNA) where: Base-Base interactions energy: -1005.933 where: short stacking energy: -442.651 Base-Backbone interact. energy: -3.875 local terms energy: -436.160741 where: bonds (distance) C4'-P energy: -83.288 bonds (distance) P-C4' energy: -81.277 flat angles C4'-P-C4' energy: -95.045 flat angles P-C4'-P energy: -63.642 tors. eta vs tors. theta energy: -112.908 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: 2 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1419.084365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.084365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.084365 (E_RNA) where: Base-Base interactions energy: -988.907 where: short stacking energy: -449.878 Base-Backbone interact. energy: -0.616 local terms energy: -429.560991 where: bonds (distance) C4'-P energy: -74.540 bonds (distance) P-C4' energy: -73.193 flat angles C4'-P-C4' energy: -95.965 flat angles P-C4'-P energy: -64.794 tors. eta vs tors. theta energy: -121.070 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: 6 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1337.390237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.390237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.390237 (E_RNA) where: Base-Base interactions energy: -929.153 where: short stacking energy: -376.671 Base-Backbone interact. energy: -3.348 local terms energy: -404.889299 where: bonds (distance) C4'-P energy: -80.854 bonds (distance) P-C4' energy: -72.965 flat angles C4'-P-C4' energy: -95.833 flat angles P-C4'-P energy: -56.960 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: 5, replica: 8 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1308.678649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.678649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.678649 (E_RNA) where: Base-Base interactions energy: -890.729 where: short stacking energy: -392.042 Base-Backbone interact. energy: -2.969 local terms energy: -414.980566 where: bonds (distance) C4'-P energy: -74.798 bonds (distance) P-C4' energy: -87.816 flat angles C4'-P-C4' energy: -86.607 flat angles P-C4'-P energy: -51.364 tors. eta vs tors. theta energy: -114.396 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: 163 Temperature: 1.150000 Total energy: -1173.978953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.978953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.978953 (E_RNA) where: Base-Base interactions energy: -784.177 where: short stacking energy: -362.131 Base-Backbone interact. energy: -1.117 local terms energy: -388.685379 where: bonds (distance) C4'-P energy: -72.301 bonds (distance) P-C4' energy: -75.301 flat angles C4'-P-C4' energy: -84.770 flat angles P-C4'-P energy: -57.139 tors. eta vs tors. theta energy: -99.175 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: 7, replica: 7 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1078.482664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.482664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.482664 (E_RNA) where: Base-Base interactions energy: -716.343 where: short stacking energy: -329.186 Base-Backbone interact. energy: 1.042 local terms energy: -363.181284 where: bonds (distance) C4'-P energy: -71.031 bonds (distance) P-C4' energy: -80.238 flat angles C4'-P-C4' energy: -84.754 flat angles P-C4'-P energy: -45.131 tors. eta vs tors. theta energy: -82.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -878.111213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.111213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.111213 (E_RNA) where: Base-Base interactions energy: -586.179 where: short stacking energy: -269.828 Base-Backbone interact. energy: -2.734 local terms energy: -289.197484 where: bonds (distance) C4'-P energy: -66.768 bonds (distance) P-C4' energy: -72.837 flat angles C4'-P-C4' energy: -47.250 flat angles P-C4'-P energy: -47.296 tors. eta vs tors. theta energy: -55.047 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: 9, replica: 5 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -639.097856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.097856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.097856 (E_RNA) where: Base-Base interactions energy: -383.276 where: short stacking energy: -172.126 Base-Backbone interact. energy: -1.297 local terms energy: -254.524974 where: bonds (distance) C4'-P energy: -69.857 bonds (distance) P-C4' energy: -80.562 flat angles C4'-P-C4' energy: -59.911 flat angles P-C4'-P energy: -25.720 tors. eta vs tors. theta energy: -18.475 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: 10, replica: 4 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -363.337030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.337030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.337030 (E_RNA) where: Base-Base interactions energy: -158.791 where: short stacking energy: -118.747 Base-Backbone interact. energy: -1.850 local terms energy: -202.696126 where: bonds (distance) C4'-P energy: -66.318 bonds (distance) P-C4' energy: -65.334 flat angles C4'-P-C4' energy: -63.314 flat angles P-C4'-P energy: -21.885 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: 164 Temperature: 0.900000 Total energy: -1488.357796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.357796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.357796 (E_RNA) where: Base-Base interactions energy: -1031.477 where: short stacking energy: -430.182 Base-Backbone interact. energy: -0.471 local terms energy: -456.410317 where: bonds (distance) C4'-P energy: -88.786 bonds (distance) P-C4' energy: -93.260 flat angles C4'-P-C4' energy: -92.060 flat angles P-C4'-P energy: -63.412 tors. eta vs tors. theta energy: -118.892 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: 1 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1422.945064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.945064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.945064 (E_RNA) where: Base-Base interactions energy: -994.280 where: short stacking energy: -415.452 Base-Backbone interact. energy: -2.920 local terms energy: -425.744782 where: bonds (distance) C4'-P energy: -85.695 bonds (distance) P-C4' energy: -77.312 flat angles C4'-P-C4' energy: -87.560 flat angles P-C4'-P energy: -61.764 tors. eta vs tors. theta energy: -113.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1441.296080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.296080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.296080 (E_RNA) where: Base-Base interactions energy: -999.671 where: short stacking energy: -446.263 Base-Backbone interact. energy: -1.719 local terms energy: -439.906672 where: bonds (distance) C4'-P energy: -77.097 bonds (distance) P-C4' energy: -78.038 flat angles C4'-P-C4' energy: -99.160 flat angles P-C4'-P energy: -61.093 tors. eta vs tors. theta energy: -124.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1345.334862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.334862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.334862 (E_RNA) where: Base-Base interactions energy: -944.576 where: short stacking energy: -381.215 Base-Backbone interact. energy: 1.041 local terms energy: -401.799453 where: bonds (distance) C4'-P energy: -77.843 bonds (distance) P-C4' energy: -80.744 flat angles C4'-P-C4' energy: -80.221 flat angles P-C4'-P energy: -62.844 tors. eta vs tors. theta energy: -100.147 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: 8 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1305.037103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.037103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.037103 (E_RNA) where: Base-Base interactions energy: -900.878 where: short stacking energy: -409.998 Base-Backbone interact. energy: -0.212 local terms energy: -403.947230 where: bonds (distance) C4'-P energy: -74.158 bonds (distance) P-C4' energy: -76.007 flat angles C4'-P-C4' energy: -86.081 flat angles P-C4'-P energy: -52.494 tors. eta vs tors. theta energy: -115.207 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: 9 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1161.694435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.694435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.694435 (E_RNA) where: Base-Base interactions energy: -780.863 where: short stacking energy: -325.711 Base-Backbone interact. energy: -0.881 local terms energy: -379.950108 where: bonds (distance) C4'-P energy: -76.993 bonds (distance) P-C4' energy: -72.160 flat angles C4'-P-C4' energy: -79.748 flat angles P-C4'-P energy: -59.698 tors. eta vs tors. theta energy: -91.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1077.977401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.977401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.977401 (E_RNA) where: Base-Base interactions energy: -731.081 where: short stacking energy: -310.768 Base-Backbone interact. energy: -1.430 local terms energy: -345.466710 where: bonds (distance) C4'-P energy: -66.774 bonds (distance) P-C4' energy: -70.747 flat angles C4'-P-C4' energy: -84.844 flat angles P-C4'-P energy: -43.565 tors. eta vs tors. theta energy: -79.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -904.031489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.031489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.031489 (E_RNA) where: Base-Base interactions energy: -587.797 where: short stacking energy: -263.036 Base-Backbone interact. energy: 0.603 local terms energy: -316.837173 where: bonds (distance) C4'-P energy: -69.920 bonds (distance) P-C4' energy: -80.152 flat angles C4'-P-C4' energy: -72.964 flat angles P-C4'-P energy: -48.092 tors. eta vs tors. theta energy: -45.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -653.413869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.413869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.413869 (E_RNA) where: Base-Base interactions energy: -387.975 where: short stacking energy: -180.114 Base-Backbone interact. energy: -1.855 local terms energy: -263.584143 where: bonds (distance) C4'-P energy: -56.842 bonds (distance) P-C4' energy: -71.889 flat angles C4'-P-C4' energy: -73.001 flat angles P-C4'-P energy: -40.366 tors. eta vs tors. theta energy: -21.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -371.494063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.494063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.494063 (E_RNA) where: Base-Base interactions energy: -136.758 where: short stacking energy: -106.959 Base-Backbone interact. energy: 0.275 local terms energy: -235.011833 where: bonds (distance) C4'-P energy: -68.381 bonds (distance) P-C4' energy: -59.148 flat angles C4'-P-C4' energy: -71.888 flat angles P-C4'-P energy: -47.966 tors. eta vs tors. theta energy: 12.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1483.243629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.243629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.243629 (E_RNA) where: Base-Base interactions energy: -1030.755 where: short stacking energy: -440.772 Base-Backbone interact. energy: -5.271 local terms energy: -447.217118 where: bonds (distance) C4'-P energy: -82.301 bonds (distance) P-C4' energy: -78.007 flat angles C4'-P-C4' energy: -94.487 flat angles P-C4'-P energy: -61.932 tors. eta vs tors. theta energy: -130.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1421.866064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.866064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.866064 (E_RNA) where: Base-Base interactions energy: -985.295 where: short stacking energy: -420.912 Base-Backbone interact. energy: -1.448 local terms energy: -435.122825 where: bonds (distance) C4'-P energy: -77.825 bonds (distance) P-C4' energy: -88.465 flat angles C4'-P-C4' energy: -98.635 flat angles P-C4'-P energy: -54.168 tors. eta vs tors. theta energy: -116.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1443.262494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.262494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.262494 (E_RNA) where: Base-Base interactions energy: -1014.851 where: short stacking energy: -436.079 Base-Backbone interact. energy: -1.543 local terms energy: -426.868480 where: bonds (distance) C4'-P energy: -74.429 bonds (distance) P-C4' energy: -81.589 flat angles C4'-P-C4' energy: -89.501 flat angles P-C4'-P energy: -59.340 tors. eta vs tors. theta energy: -122.009 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: 165 Temperature: 1.050000 Total energy: -1343.393186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.393186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.393186 (E_RNA) where: Base-Base interactions energy: -923.428 where: short stacking energy: -403.377 Base-Backbone interact. energy: 1.826 local terms energy: -421.791995 where: bonds (distance) C4'-P energy: -69.164 bonds (distance) P-C4' energy: -83.338 flat angles C4'-P-C4' energy: -103.366 flat angles P-C4'-P energy: -52.591 tors. eta vs tors. theta energy: -113.332 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: 6 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1317.098826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.098826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.098826 (E_RNA) where: Base-Base interactions energy: -918.352 where: short stacking energy: -380.606 Base-Backbone interact. energy: -0.423 local terms energy: -398.323018 where: bonds (distance) C4'-P energy: -86.097 bonds (distance) P-C4' energy: -72.409 flat angles C4'-P-C4' energy: -83.885 flat angles P-C4'-P energy: -43.571 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: 6, replica: 7 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1072.040625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.040625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.040625 (E_RNA) where: Base-Base interactions energy: -732.676 where: short stacking energy: -328.540 Base-Backbone interact. energy: 2.237 local terms energy: -341.602293 where: bonds (distance) C4'-P energy: -71.578 bonds (distance) P-C4' energy: -64.054 flat angles C4'-P-C4' energy: -78.252 flat angles P-C4'-P energy: -49.170 tors. eta vs tors. theta energy: -78.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1113.235108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.235108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.235108 (E_RNA) where: Base-Base interactions energy: -743.570 where: short stacking energy: -336.147 Base-Backbone interact. energy: -1.902 local terms energy: -367.763030 where: bonds (distance) C4'-P energy: -64.773 bonds (distance) P-C4' energy: -74.026 flat angles C4'-P-C4' energy: -93.885 flat angles P-C4'-P energy: -48.099 tors. eta vs tors. theta energy: -86.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -896.842985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.842985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.842985 (E_RNA) where: Base-Base interactions energy: -595.462 where: short stacking energy: -259.564 Base-Backbone interact. energy: 0.040 local terms energy: -301.420946 where: bonds (distance) C4'-P energy: -68.539 bonds (distance) P-C4' energy: -66.058 flat angles C4'-P-C4' energy: -76.316 flat angles P-C4'-P energy: -42.691 tors. eta vs tors. theta energy: -47.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -643.117116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.117116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.117116 (E_RNA) where: Base-Base interactions energy: -383.162 where: short stacking energy: -183.916 Base-Backbone interact. energy: 1.456 local terms energy: -261.410766 where: bonds (distance) C4'-P energy: -61.955 bonds (distance) P-C4' energy: -76.902 flat angles C4'-P-C4' energy: -61.020 flat angles P-C4'-P energy: -45.960 tors. eta vs tors. theta energy: -15.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -413.051737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.051737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.051737 (E_RNA) where: Base-Base interactions energy: -171.285 where: short stacking energy: -117.815 Base-Backbone interact. energy: -0.929 local terms energy: -240.838032 where: bonds (distance) C4'-P energy: -68.567 bonds (distance) P-C4' energy: -82.824 flat angles C4'-P-C4' energy: -47.974 flat angles P-C4'-P energy: -44.080 tors. eta vs tors. theta energy: 2.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1496.425618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.425618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.425618 (E_RNA) where: Base-Base interactions energy: -1043.042 where: short stacking energy: -440.782 Base-Backbone interact. energy: -0.557 local terms energy: -452.827199 where: bonds (distance) C4'-P energy: -77.393 bonds (distance) P-C4' energy: -89.106 flat angles C4'-P-C4' energy: -89.623 flat angles P-C4'-P energy: -67.849 tors. eta vs tors. theta energy: -128.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1417.680738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.680738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.680738 (E_RNA) where: Base-Base interactions energy: -1026.119 where: short stacking energy: -410.786 Base-Backbone interact. energy: -1.706 local terms energy: -389.855831 where: bonds (distance) C4'-P energy: -72.372 bonds (distance) P-C4' energy: -84.217 flat angles C4'-P-C4' energy: -82.990 flat angles P-C4'-P energy: -51.226 tors. eta vs tors. theta energy: -99.051 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: 2 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1448.994443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.994443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.994443 (E_RNA) where: Base-Base interactions energy: -1005.789 where: short stacking energy: -457.920 Base-Backbone interact. energy: 0.177 local terms energy: -443.383145 where: bonds (distance) C4'-P energy: -84.653 bonds (distance) P-C4' energy: -78.419 flat angles C4'-P-C4' energy: -94.945 flat angles P-C4'-P energy: -60.405 tors. eta vs tors. theta energy: -124.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1361.024725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.024725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.024725 (E_RNA) where: Base-Base interactions energy: -931.618 where: short stacking energy: -400.076 Base-Backbone interact. energy: -2.432 local terms energy: -426.974275 where: bonds (distance) C4'-P energy: -73.016 bonds (distance) P-C4' energy: -91.825 flat angles C4'-P-C4' energy: -92.566 flat angles P-C4'-P energy: -54.689 tors. eta vs tors. theta energy: -114.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1303.528024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.528024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.528024 (E_RNA) where: Base-Base interactions energy: -902.708 where: short stacking energy: -385.933 Base-Backbone interact. energy: -1.890 local terms energy: -398.930753 where: bonds (distance) C4'-P energy: -78.273 bonds (distance) P-C4' energy: -81.443 flat angles C4'-P-C4' energy: -86.630 flat angles P-C4'-P energy: -48.190 tors. eta vs tors. theta energy: -104.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1091.740792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.740792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.740792 (E_RNA) where: Base-Base interactions energy: -723.184 where: short stacking energy: -324.618 Base-Backbone interact. energy: -1.071 local terms energy: -367.485800 where: bonds (distance) C4'-P energy: -62.239 bonds (distance) P-C4' energy: -81.209 flat angles C4'-P-C4' energy: -89.216 flat angles P-C4'-P energy: -54.328 tors. eta vs tors. theta energy: -80.494 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: 7, replica: 9 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1151.589911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.589911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.589911 (E_RNA) where: Base-Base interactions energy: -763.957 where: short stacking energy: -341.023 Base-Backbone interact. energy: -2.088 local terms energy: -385.545018 where: bonds (distance) C4'-P energy: -78.495 bonds (distance) P-C4' energy: -76.376 flat angles C4'-P-C4' energy: -78.099 flat angles P-C4'-P energy: -59.017 tors. eta vs tors. theta energy: -93.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -955.357221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.357221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.357221 (E_RNA) where: Base-Base interactions energy: -635.176 where: short stacking energy: -287.192 Base-Backbone interact. energy: 0.364 local terms energy: -320.544545 where: bonds (distance) C4'-P energy: -75.121 bonds (distance) P-C4' energy: -57.579 flat angles C4'-P-C4' energy: -81.406 flat angles P-C4'-P energy: -47.571 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: 9, replica: 5 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -662.960184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.960184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.960184 (E_RNA) where: Base-Base interactions energy: -376.126 where: short stacking energy: -183.799 Base-Backbone interact. energy: 3.210 local terms energy: -290.043786 where: bonds (distance) C4'-P energy: -66.889 bonds (distance) P-C4' energy: -77.004 flat angles C4'-P-C4' energy: -57.079 flat angles P-C4'-P energy: -53.583 tors. eta vs tors. theta energy: -35.489 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: 10, replica: 4 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -381.031600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.031600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.031600 (E_RNA) where: Base-Base interactions energy: -142.617 where: short stacking energy: -128.108 Base-Backbone interact. energy: -2.540 local terms energy: -235.875381 where: bonds (distance) C4'-P energy: -72.220 bonds (distance) P-C4' energy: -71.787 flat angles C4'-P-C4' energy: -60.954 flat angles P-C4'-P energy: -37.002 tors. eta vs tors. theta energy: 6.088 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: 10 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1520.293292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.293292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.293292 (E_RNA) where: Base-Base interactions energy: -1065.258 where: short stacking energy: -449.937 Base-Backbone interact. energy: -0.769 local terms energy: -454.266304 where: bonds (distance) C4'-P energy: -81.675 bonds (distance) P-C4' energy: -89.092 flat angles C4'-P-C4' energy: -92.385 flat angles P-C4'-P energy: -61.000 tors. eta vs tors. theta energy: -130.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1465.981873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.981873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.981873 (E_RNA) where: Base-Base interactions energy: -1036.768 where: short stacking energy: -444.504 Base-Backbone interact. energy: -0.666 local terms energy: -428.547483 where: bonds (distance) C4'-P energy: -76.239 bonds (distance) P-C4' energy: -73.898 flat angles C4'-P-C4' energy: -100.586 flat angles P-C4'-P energy: -56.900 tors. eta vs tors. theta energy: -120.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1408.965890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.965890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.965890 (E_RNA) where: Base-Base interactions energy: -1021.435 where: short stacking energy: -415.323 Base-Backbone interact. energy: -0.109 local terms energy: -387.421094 where: bonds (distance) C4'-P energy: -73.478 bonds (distance) P-C4' energy: -81.177 flat angles C4'-P-C4' energy: -80.176 flat angles P-C4'-P energy: -52.702 tors. eta vs tors. theta energy: -99.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1328.452115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.452115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.452115 (E_RNA) where: Base-Base interactions energy: -916.516 where: short stacking energy: -392.237 Base-Backbone interact. energy: -2.328 local terms energy: -409.608586 where: bonds (distance) C4'-P energy: -82.360 bonds (distance) P-C4' energy: -83.870 flat angles C4'-P-C4' energy: -88.355 flat angles P-C4'-P energy: -51.074 tors. eta vs tors. theta energy: -103.951 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: 5, replica: 8 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1295.277888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.277888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.277888 (E_RNA) where: Base-Base interactions energy: -893.995 where: short stacking energy: -394.697 Base-Backbone interact. energy: -1.079 local terms energy: -400.203504 where: bonds (distance) C4'-P energy: -78.395 bonds (distance) P-C4' energy: -76.505 flat angles C4'-P-C4' energy: -82.841 flat angles P-C4'-P energy: -60.692 tors. eta vs tors. theta energy: -101.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1116.139343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.139343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.139343 (E_RNA) where: Base-Base interactions energy: -753.184 where: short stacking energy: -336.143 Base-Backbone interact. energy: -1.397 local terms energy: -361.558719 where: bonds (distance) C4'-P energy: -68.949 bonds (distance) P-C4' energy: -66.111 flat angles C4'-P-C4' energy: -82.529 flat angles P-C4'-P energy: -59.182 tors. eta vs tors. theta energy: -84.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1026.551005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.551005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.551005 (E_RNA) where: Base-Base interactions energy: -669.036 where: short stacking energy: -312.457 Base-Backbone interact. energy: -1.176 local terms energy: -356.338411 where: bonds (distance) C4'-P energy: -60.988 bonds (distance) P-C4' energy: -81.965 flat angles C4'-P-C4' energy: -77.150 flat angles P-C4'-P energy: -54.965 tors. eta vs tors. theta energy: -81.270 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: 8, replica: 3 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -932.579687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.579687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.579687 (E_RNA) where: Base-Base interactions energy: -627.309 where: short stacking energy: -272.190 Base-Backbone interact. energy: 0.364 local terms energy: -305.634485 where: bonds (distance) C4'-P energy: -58.545 bonds (distance) P-C4' energy: -78.212 flat angles C4'-P-C4' energy: -67.469 flat angles P-C4'-P energy: -43.104 tors. eta vs tors. theta energy: -58.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -694.968894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.968894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.968894 (E_RNA) where: Base-Base interactions energy: -404.386 where: short stacking energy: -204.302 Base-Backbone interact. energy: -1.777 local terms energy: -288.805221 where: bonds (distance) C4'-P energy: -76.224 bonds (distance) P-C4' energy: -77.260 flat angles C4'-P-C4' energy: -74.077 flat angles P-C4'-P energy: -22.250 tors. eta vs tors. theta energy: -38.994 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: 4 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -370.172383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.172383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.172383 (E_RNA) where: Base-Base interactions energy: -128.974 where: short stacking energy: -115.244 Base-Backbone interact. energy: -2.324 local terms energy: -238.873687 where: bonds (distance) C4'-P energy: -76.982 bonds (distance) P-C4' energy: -75.597 flat angles C4'-P-C4' energy: -58.640 flat angles P-C4'-P energy: -38.331 tors. eta vs tors. theta energy: 10.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1525.621663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.621663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.621663 (E_RNA) where: Base-Base interactions energy: -1082.828 where: short stacking energy: -442.647 Base-Backbone interact. energy: -2.877 local terms energy: -439.916690 where: bonds (distance) C4'-P energy: -77.724 bonds (distance) P-C4' energy: -73.526 flat angles C4'-P-C4' energy: -98.897 flat angles P-C4'-P energy: -64.391 tors. eta vs tors. theta energy: -125.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1493.944302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.944302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.944302 (E_RNA) where: Base-Base interactions energy: -1025.468 where: short stacking energy: -456.434 Base-Backbone interact. energy: -1.835 local terms energy: -466.641461 where: bonds (distance) C4'-P energy: -83.538 bonds (distance) P-C4' energy: -82.901 flat angles C4'-P-C4' energy: -107.282 flat angles P-C4'-P energy: -67.027 tors. eta vs tors. theta energy: -125.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1425.805210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.805210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.805210 (E_RNA) where: Base-Base interactions energy: -1008.097 where: short stacking energy: -410.258 Base-Backbone interact. energy: 1.417 local terms energy: -419.125229 where: bonds (distance) C4'-P energy: -67.227 bonds (distance) P-C4' energy: -95.106 flat angles C4'-P-C4' energy: -95.007 flat angles P-C4'-P energy: -52.569 tors. eta vs tors. theta energy: -109.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1348.453296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.453296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.453296 (E_RNA) where: Base-Base interactions energy: -926.224 where: short stacking energy: -388.015 Base-Backbone interact. energy: 0.590 local terms energy: -422.819359 where: bonds (distance) C4'-P energy: -79.904 bonds (distance) P-C4' energy: -84.177 flat angles C4'-P-C4' energy: -91.385 flat angles P-C4'-P energy: -64.736 tors. eta vs tors. theta energy: -102.617 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: 168 Temperature: 1.100000 Total energy: -1293.161534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.161534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.161534 (E_RNA) where: Base-Base interactions energy: -905.862 where: short stacking energy: -394.766 Base-Backbone interact. energy: -1.479 local terms energy: -385.820436 where: bonds (distance) C4'-P energy: -67.084 bonds (distance) P-C4' energy: -74.264 flat angles C4'-P-C4' energy: -90.170 flat angles P-C4'-P energy: -56.822 tors. eta vs tors. theta energy: -97.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1126.848925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.848925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.848925 (E_RNA) where: Base-Base interactions energy: -755.177 where: short stacking energy: -333.084 Base-Backbone interact. energy: -0.097 local terms energy: -371.575192 where: bonds (distance) C4'-P energy: -66.758 bonds (distance) P-C4' energy: -72.161 flat angles C4'-P-C4' energy: -80.252 flat angles P-C4'-P energy: -60.879 tors. eta vs tors. theta energy: -91.526 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: 168 Temperature: 1.200000 Total energy: -1034.686050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.686050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.686050 (E_RNA) where: Base-Base interactions energy: -675.852 where: short stacking energy: -323.807 Base-Backbone interact. energy: -2.008 local terms energy: -356.825444 where: bonds (distance) C4'-P energy: -66.558 bonds (distance) P-C4' energy: -82.456 flat angles C4'-P-C4' energy: -71.572 flat angles P-C4'-P energy: -54.907 tors. eta vs tors. theta energy: -81.332 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: 3 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -902.856463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.856463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.856463 (E_RNA) where: Base-Base interactions energy: -608.513 where: short stacking energy: -275.424 Base-Backbone interact. energy: 1.093 local terms energy: -295.436679 where: bonds (distance) C4'-P energy: -60.933 bonds (distance) P-C4' energy: -69.592 flat angles C4'-P-C4' energy: -64.308 flat angles P-C4'-P energy: -46.995 tors. eta vs tors. theta energy: -53.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -705.767399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.767399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.767399 (E_RNA) where: Base-Base interactions energy: -435.961 where: short stacking energy: -225.898 Base-Backbone interact. energy: -0.223 local terms energy: -269.583590 where: bonds (distance) C4'-P energy: -63.016 bonds (distance) P-C4' energy: -78.047 flat angles C4'-P-C4' energy: -65.455 flat angles P-C4'-P energy: -34.334 tors. eta vs tors. theta energy: -28.732 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: 4 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -407.536559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.536559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.536559 (E_RNA) where: Base-Base interactions energy: -190.960 where: short stacking energy: -141.039 Base-Backbone interact. energy: 2.572 local terms energy: -219.148358 where: bonds (distance) C4'-P energy: -69.267 bonds (distance) P-C4' energy: -66.373 flat angles C4'-P-C4' energy: -52.311 flat angles P-C4'-P energy: -38.315 tors. eta vs tors. theta energy: 7.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1505.419543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.419543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.419543 (E_RNA) where: Base-Base interactions energy: -1059.878 where: short stacking energy: -433.750 Base-Backbone interact. energy: -1.556 local terms energy: -443.984974 where: bonds (distance) C4'-P energy: -85.821 bonds (distance) P-C4' energy: -84.631 flat angles C4'-P-C4' energy: -88.266 flat angles P-C4'-P energy: -59.867 tors. eta vs tors. theta energy: -125.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1462.914101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.914101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.914101 (E_RNA) where: Base-Base interactions energy: -1016.934 where: short stacking energy: -417.601 Base-Backbone interact. energy: -2.569 local terms energy: -443.411568 where: bonds (distance) C4'-P energy: -91.259 bonds (distance) P-C4' energy: -79.071 flat angles C4'-P-C4' energy: -102.414 flat angles P-C4'-P energy: -55.751 tors. eta vs tors. theta energy: -114.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1451.891985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.891985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.891985 (E_RNA) where: Base-Base interactions energy: -1002.222 where: short stacking energy: -442.228 Base-Backbone interact. energy: -0.238 local terms energy: -449.431933 where: bonds (distance) C4'-P energy: -78.402 bonds (distance) P-C4' energy: -78.766 flat angles C4'-P-C4' energy: -103.273 flat angles P-C4'-P energy: -65.040 tors. eta vs tors. theta energy: -123.950 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: 169 Temperature: 1.050000 Total energy: -1331.212914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.212914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.212914 (E_RNA) where: Base-Base interactions energy: -908.246 where: short stacking energy: -372.978 Base-Backbone interact. energy: -3.681 local terms energy: -419.286453 where: bonds (distance) C4'-P energy: -85.710 bonds (distance) P-C4' energy: -72.933 flat angles C4'-P-C4' energy: -85.249 flat angles P-C4'-P energy: -68.344 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: 5, replica: 8 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1274.383123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.383123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.383123 (E_RNA) where: Base-Base interactions energy: -868.500 where: short stacking energy: -381.498 Base-Backbone interact. energy: -0.979 local terms energy: -404.904035 where: bonds (distance) C4'-P energy: -71.328 bonds (distance) P-C4' energy: -75.635 flat angles C4'-P-C4' energy: -90.498 flat angles P-C4'-P energy: -57.276 tors. eta vs tors. theta energy: -110.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1102.497605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.497605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.497605 (E_RNA) where: Base-Base interactions energy: -738.957 where: short stacking energy: -331.292 Base-Backbone interact. energy: 1.051 local terms energy: -364.592044 where: bonds (distance) C4'-P energy: -80.500 bonds (distance) P-C4' energy: -66.792 flat angles C4'-P-C4' energy: -76.901 flat angles P-C4'-P energy: -60.180 tors. eta vs tors. theta energy: -80.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1092.239550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.239550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.239550 (E_RNA) where: Base-Base interactions energy: -731.848 where: short stacking energy: -341.194 Base-Backbone interact. energy: -0.924 local terms energy: -359.466707 where: bonds (distance) C4'-P energy: -84.026 bonds (distance) P-C4' energy: -51.941 flat angles C4'-P-C4' energy: -92.921 flat angles P-C4'-P energy: -49.201 tors. eta vs tors. theta energy: -81.378 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: 3 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -916.986538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.986538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.986538 (E_RNA) where: Base-Base interactions energy: -621.630 where: short stacking energy: -279.648 Base-Backbone interact. energy: 4.366 local terms energy: -299.722340 where: bonds (distance) C4'-P energy: -59.004 bonds (distance) P-C4' energy: -72.266 flat angles C4'-P-C4' energy: -69.179 flat angles P-C4'-P energy: -37.155 tors. eta vs tors. theta energy: -62.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -739.740152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.740152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.740152 (E_RNA) where: Base-Base interactions energy: -468.000 where: short stacking energy: -204.344 Base-Backbone interact. energy: -0.724 local terms energy: -271.016874 where: bonds (distance) C4'-P energy: -59.265 bonds (distance) P-C4' energy: -68.392 flat angles C4'-P-C4' energy: -57.527 flat angles P-C4'-P energy: -47.527 tors. eta vs tors. theta energy: -38.306 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: 4 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -445.774466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.774466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.774466 (E_RNA) where: Base-Base interactions energy: -225.746 where: short stacking energy: -137.165 Base-Backbone interact. energy: -2.527 local terms energy: -217.501008 where: bonds (distance) C4'-P energy: -45.121 bonds (distance) P-C4' energy: -73.978 flat angles C4'-P-C4' energy: -60.284 flat angles P-C4'-P energy: -38.164 tors. eta vs tors. theta energy: 0.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1521.320336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.320336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.320336 (E_RNA) where: Base-Base interactions energy: -1064.606 where: short stacking energy: -432.552 Base-Backbone interact. energy: -1.290 local terms energy: -455.424974 where: bonds (distance) C4'-P energy: -86.234 bonds (distance) P-C4' energy: -86.878 flat angles C4'-P-C4' energy: -91.630 flat angles P-C4'-P energy: -66.884 tors. eta vs tors. theta energy: -123.800 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: 170 Temperature: 0.950000 Total energy: -1450.872300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.872300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.872300 (E_RNA) where: Base-Base interactions energy: -1026.019 where: short stacking energy: -420.214 Base-Backbone interact. energy: -1.874 local terms energy: -422.979718 where: bonds (distance) C4'-P energy: -72.907 bonds (distance) P-C4' energy: -87.046 flat angles C4'-P-C4' energy: -93.748 flat angles P-C4'-P energy: -54.344 tors. eta vs tors. theta energy: -114.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1440.295240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.295240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.295240 (E_RNA) where: Base-Base interactions energy: -992.985 where: short stacking energy: -439.119 Base-Backbone interact. energy: -2.178 local terms energy: -445.132664 where: bonds (distance) C4'-P energy: -78.512 bonds (distance) P-C4' energy: -88.684 flat angles C4'-P-C4' energy: -86.825 flat angles P-C4'-P energy: -65.083 tors. eta vs tors. theta energy: -126.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1331.679373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.679373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.679373 (E_RNA) where: Base-Base interactions energy: -918.764 where: short stacking energy: -376.755 Base-Backbone interact. energy: -1.782 local terms energy: -411.132760 where: bonds (distance) C4'-P energy: -80.757 bonds (distance) P-C4' energy: -86.080 flat angles C4'-P-C4' energy: -88.200 flat angles P-C4'-P energy: -59.548 tors. eta vs tors. theta energy: -96.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1286.147504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.147504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.147504 (E_RNA) where: Base-Base interactions energy: -877.561 where: short stacking energy: -370.373 Base-Backbone interact. energy: -5.724 local terms energy: -402.862463 where: bonds (distance) C4'-P energy: -60.714 bonds (distance) P-C4' energy: -86.737 flat angles C4'-P-C4' energy: -91.223 flat angles P-C4'-P energy: -57.113 tors. eta vs tors. theta energy: -107.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1116.072307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.072307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.072307 (E_RNA) where: Base-Base interactions energy: -745.162 where: short stacking energy: -356.313 Base-Backbone interact. energy: 5.748 local terms energy: -376.657662 where: bonds (distance) C4'-P energy: -74.045 bonds (distance) P-C4' energy: -70.129 flat angles C4'-P-C4' energy: -88.146 flat angles P-C4'-P energy: -60.406 tors. eta vs tors. theta energy: -83.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1125.719720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.719720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.719720 (E_RNA) where: Base-Base interactions energy: -740.799 where: short stacking energy: -347.094 Base-Backbone interact. energy: -1.067 local terms energy: -383.853353 where: bonds (distance) C4'-P energy: -82.328 bonds (distance) P-C4' energy: -71.500 flat angles C4'-P-C4' energy: -91.813 flat angles P-C4'-P energy: -53.981 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: 8, replica: 3 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -917.251816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.251816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.251816 (E_RNA) where: Base-Base interactions energy: -605.434 where: short stacking energy: -275.239 Base-Backbone interact. energy: 1.285 local terms energy: -313.103602 where: bonds (distance) C4'-P energy: -64.931 bonds (distance) P-C4' energy: -78.985 flat angles C4'-P-C4' energy: -75.428 flat angles P-C4'-P energy: -37.301 tors. eta vs tors. theta energy: -56.459 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: 5 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -690.140435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.140435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.140435 (E_RNA) where: Base-Base interactions energy: -423.612 where: short stacking energy: -203.702 Base-Backbone interact. energy: 5.564 local terms energy: -272.092136 where: bonds (distance) C4'-P energy: -59.887 bonds (distance) P-C4' energy: -77.970 flat angles C4'-P-C4' energy: -73.938 flat angles P-C4'-P energy: -39.513 tors. eta vs tors. theta energy: -20.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -461.500765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.500765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.500765 (E_RNA) where: Base-Base interactions energy: -248.595 where: short stacking energy: -132.840 Base-Backbone interact. energy: -1.795 local terms energy: -211.110757 where: bonds (distance) C4'-P energy: -55.569 bonds (distance) P-C4' energy: -68.518 flat angles C4'-P-C4' energy: -58.919 flat angles P-C4'-P energy: -37.336 tors. eta vs tors. theta energy: 9.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1515.380837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.380837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.380837 (E_RNA) where: Base-Base interactions energy: -1051.198 where: short stacking energy: -439.864 Base-Backbone interact. energy: -2.396 local terms energy: -461.787351 where: bonds (distance) C4'-P energy: -82.945 bonds (distance) P-C4' energy: -84.849 flat angles C4'-P-C4' energy: -103.514 flat angles P-C4'-P energy: -61.870 tors. eta vs tors. theta energy: -128.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1458.847321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.847321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.847321 (E_RNA) where: Base-Base interactions energy: -1023.252 where: short stacking energy: -432.637 Base-Backbone interact. energy: 0.406 local terms energy: -436.001019 where: bonds (distance) C4'-P energy: -78.111 bonds (distance) P-C4' energy: -84.896 flat angles C4'-P-C4' energy: -91.421 flat angles P-C4'-P energy: -62.419 tors. eta vs tors. theta energy: -119.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1413.924740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.924740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.924740 (E_RNA) where: Base-Base interactions energy: -1012.210 where: short stacking energy: -409.256 Base-Backbone interact. energy: 4.701 local terms energy: -406.415817 where: bonds (distance) C4'-P energy: -76.847 bonds (distance) P-C4' energy: -82.244 flat angles C4'-P-C4' energy: -94.294 flat angles P-C4'-P energy: -53.104 tors. eta vs tors. theta energy: -99.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1294.651937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.651937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.651937 (E_RNA) where: Base-Base interactions energy: -917.330 where: short stacking energy: -366.755 Base-Backbone interact. energy: -1.731 local terms energy: -375.590968 where: bonds (distance) C4'-P energy: -82.748 bonds (distance) P-C4' energy: -66.418 flat angles C4'-P-C4' energy: -83.153 flat angles P-C4'-P energy: -43.511 tors. eta vs tors. theta energy: -99.761 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: 171 Temperature: 1.100000 Total energy: -1279.205696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.205696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.205696 (E_RNA) where: Base-Base interactions energy: -867.883 where: short stacking energy: -388.565 Base-Backbone interact. energy: -2.214 local terms energy: -409.108666 where: bonds (distance) C4'-P energy: -83.186 bonds (distance) P-C4' energy: -91.371 flat angles C4'-P-C4' energy: -93.188 flat angles P-C4'-P energy: -43.205 tors. eta vs tors. theta energy: -98.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1102.291529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.291529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.291529 (E_RNA) where: Base-Base interactions energy: -731.613 where: short stacking energy: -324.458 Base-Backbone interact. energy: 0.552 local terms energy: -371.229858 where: bonds (distance) C4'-P energy: -74.102 bonds (distance) P-C4' energy: -79.640 flat angles C4'-P-C4' energy: -88.799 flat angles P-C4'-P energy: -49.397 tors. eta vs tors. theta energy: -79.292 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: 7, replica: 7 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1029.120058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.120058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.120058 (E_RNA) where: Base-Base interactions energy: -696.642 where: short stacking energy: -311.319 Base-Backbone interact. energy: 0.343 local terms energy: -332.820744 where: bonds (distance) C4'-P energy: -55.149 bonds (distance) P-C4' energy: -79.225 flat angles C4'-P-C4' energy: -69.826 flat angles P-C4'-P energy: -59.198 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: 8, replica: 3 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1036.640813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.640813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.640813 (E_RNA) where: Base-Base interactions energy: -708.068 where: short stacking energy: -287.075 Base-Backbone interact. energy: 0.936 local terms energy: -329.509051 where: bonds (distance) C4'-P energy: -79.019 bonds (distance) P-C4' energy: -68.573 flat angles C4'-P-C4' energy: -79.026 flat angles P-C4'-P energy: -41.038 tors. eta vs tors. theta energy: -61.852 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: 5 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -752.156482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.156482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.156482 (E_RNA) where: Base-Base interactions energy: -475.214 where: short stacking energy: -222.962 Base-Backbone interact. energy: -0.326 local terms energy: -276.615698 where: bonds (distance) C4'-P energy: -48.561 bonds (distance) P-C4' energy: -73.560 flat angles C4'-P-C4' energy: -68.467 flat angles P-C4'-P energy: -51.900 tors. eta vs tors. theta energy: -34.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -474.332064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.332064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.332064 (E_RNA) where: Base-Base interactions energy: -249.798 where: short stacking energy: -125.704 Base-Backbone interact. energy: -1.725 local terms energy: -222.808771 where: bonds (distance) C4'-P energy: -70.830 bonds (distance) P-C4' energy: -56.156 flat angles C4'-P-C4' energy: -64.636 flat angles P-C4'-P energy: -33.336 tors. eta vs tors. theta energy: 2.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1500.825660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.825660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.825660 (E_RNA) where: Base-Base interactions energy: -1029.504 where: short stacking energy: -426.753 Base-Backbone interact. energy: -3.244 local terms energy: -468.077997 where: bonds (distance) C4'-P energy: -93.652 bonds (distance) P-C4' energy: -82.176 flat angles C4'-P-C4' energy: -102.737 flat angles P-C4'-P energy: -61.333 tors. eta vs tors. theta energy: -128.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1483.004323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.004323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.004323 (E_RNA) where: Base-Base interactions energy: -1028.951 where: short stacking energy: -459.535 Base-Backbone interact. energy: -1.094 local terms energy: -452.959566 where: bonds (distance) C4'-P energy: -74.860 bonds (distance) P-C4' energy: -85.241 flat angles C4'-P-C4' energy: -91.499 flat angles P-C4'-P energy: -71.356 tors. eta vs tors. theta energy: -130.004 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: 172 Temperature: 1.000000 Total energy: -1396.449646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.449646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.449646 (E_RNA) where: Base-Base interactions energy: -1019.215 where: short stacking energy: -410.036 Base-Backbone interact. energy: -0.406 local terms energy: -376.829041 where: bonds (distance) C4'-P energy: -73.955 bonds (distance) P-C4' energy: -79.313 flat angles C4'-P-C4' energy: -82.656 flat angles P-C4'-P energy: -44.102 tors. eta vs tors. theta energy: -96.802 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: 6 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1291.251812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.251812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.251812 (E_RNA) where: Base-Base interactions energy: -875.315 where: short stacking energy: -372.271 Base-Backbone interact. energy: -0.609 local terms energy: -415.327790 where: bonds (distance) C4'-P energy: -77.062 bonds (distance) P-C4' energy: -91.950 flat angles C4'-P-C4' energy: -78.993 flat angles P-C4'-P energy: -61.497 tors. eta vs tors. theta energy: -105.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1301.252370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.252370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.252370 (E_RNA) where: Base-Base interactions energy: -877.167 where: short stacking energy: -395.019 Base-Backbone interact. energy: 2.036 local terms energy: -426.121133 where: bonds (distance) C4'-P energy: -75.005 bonds (distance) P-C4' energy: -85.060 flat angles C4'-P-C4' energy: -94.819 flat angles P-C4'-P energy: -55.499 tors. eta vs tors. theta energy: -115.737 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: 9 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1128.257091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.257091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.257091 (E_RNA) where: Base-Base interactions energy: -746.614 where: short stacking energy: -357.719 Base-Backbone interact. energy: -0.719 local terms energy: -380.923639 where: bonds (distance) C4'-P energy: -81.614 bonds (distance) P-C4' energy: -77.837 flat angles C4'-P-C4' energy: -78.586 flat angles P-C4'-P energy: -45.078 tors. eta vs tors. theta energy: -97.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1027.340249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.340249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.340249 (E_RNA) where: Base-Base interactions energy: -704.828 where: short stacking energy: -301.318 Base-Backbone interact. energy: -0.107 local terms energy: -322.405498 where: bonds (distance) C4'-P energy: -60.870 bonds (distance) P-C4' energy: -65.208 flat angles C4'-P-C4' energy: -86.043 flat angles P-C4'-P energy: -48.140 tors. eta vs tors. theta energy: -62.143 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: 7 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -993.471401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.471401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.471401 (E_RNA) where: Base-Base interactions energy: -655.131 where: short stacking energy: -271.728 Base-Backbone interact. energy: -2.708 local terms energy: -335.631694 where: bonds (distance) C4'-P energy: -63.998 bonds (distance) P-C4' energy: -86.456 flat angles C4'-P-C4' energy: -73.035 flat angles P-C4'-P energy: -44.819 tors. eta vs tors. theta energy: -67.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -817.368392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.368392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.368392 (E_RNA) where: Base-Base interactions energy: -538.984 where: short stacking energy: -251.374 Base-Backbone interact. energy: 0.119 local terms energy: -278.502973 where: bonds (distance) C4'-P energy: -62.660 bonds (distance) P-C4' energy: -62.694 flat angles C4'-P-C4' energy: -75.754 flat angles P-C4'-P energy: -42.445 tors. eta vs tors. theta energy: -34.950 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: 4 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -569.325722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.325722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.325722 (E_RNA) where: Base-Base interactions energy: -318.603 where: short stacking energy: -161.085 Base-Backbone interact. energy: 4.190 local terms energy: -254.913029 where: bonds (distance) C4'-P energy: -69.293 bonds (distance) P-C4' energy: -73.387 flat angles C4'-P-C4' energy: -61.915 flat angles P-C4'-P energy: -34.089 tors. eta vs tors. theta energy: -16.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1502.301885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.301885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.301885 (E_RNA) where: Base-Base interactions energy: -1061.739 where: short stacking energy: -443.282 Base-Backbone interact. energy: -3.319 local terms energy: -437.244273 where: bonds (distance) C4'-P energy: -78.278 bonds (distance) P-C4' energy: -79.334 flat angles C4'-P-C4' energy: -97.483 flat angles P-C4'-P energy: -54.070 tors. eta vs tors. theta energy: -128.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1453.355704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.355704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.355704 (E_RNA) where: Base-Base interactions energy: -993.549 where: short stacking energy: -440.946 Base-Backbone interact. energy: 0.426 local terms energy: -460.232807 where: bonds (distance) C4'-P energy: -86.285 bonds (distance) P-C4' energy: -88.965 flat angles C4'-P-C4' energy: -92.299 flat angles P-C4'-P energy: -63.356 tors. eta vs tors. theta energy: -129.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1359.427066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.427066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.427066 (E_RNA) where: Base-Base interactions energy: -965.628 where: short stacking energy: -417.303 Base-Backbone interact. energy: -1.442 local terms energy: -392.357191 where: bonds (distance) C4'-P energy: -70.187 bonds (distance) P-C4' energy: -72.325 flat angles C4'-P-C4' energy: -93.053 flat angles P-C4'-P energy: -52.086 tors. eta vs tors. theta energy: -104.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1303.060293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.060293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.060293 (E_RNA) where: Base-Base interactions energy: -894.504 where: short stacking energy: -423.600 Base-Backbone interact. energy: -0.392 local terms energy: -408.164078 where: bonds (distance) C4'-P energy: -69.615 bonds (distance) P-C4' energy: -85.704 flat angles C4'-P-C4' energy: -80.875 flat angles P-C4'-P energy: -59.241 tors. eta vs tors. theta energy: -112.730 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: 6 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1289.986427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.986427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.986427 (E_RNA) where: Base-Base interactions energy: -896.694 where: short stacking energy: -383.747 Base-Backbone interact. energy: -1.840 local terms energy: -391.452617 where: bonds (distance) C4'-P energy: -77.163 bonds (distance) P-C4' energy: -68.075 flat angles C4'-P-C4' energy: -85.795 flat angles P-C4'-P energy: -55.701 tors. eta vs tors. theta energy: -104.718 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: 9 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1132.380809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.380809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.380809 (E_RNA) where: Base-Base interactions energy: -754.363 where: short stacking energy: -334.139 Base-Backbone interact. energy: -2.684 local terms energy: -375.333992 where: bonds (distance) C4'-P energy: -64.077 bonds (distance) P-C4' energy: -74.410 flat angles C4'-P-C4' energy: -82.564 flat angles P-C4'-P energy: -55.159 tors. eta vs tors. theta energy: -99.125 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: 173 Temperature: 1.200000 Total energy: -1026.178759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.178759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.178759 (E_RNA) where: Base-Base interactions energy: -698.698 where: short stacking energy: -326.734 Base-Backbone interact. energy: -0.717 local terms energy: -326.764235 where: bonds (distance) C4'-P energy: -53.518 bonds (distance) P-C4' energy: -64.199 flat angles C4'-P-C4' energy: -80.146 flat angles P-C4'-P energy: -49.701 tors. eta vs tors. theta energy: -79.200 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: 7 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -991.719667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.719667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.719667 (E_RNA) where: Base-Base interactions energy: -673.071 where: short stacking energy: -314.014 Base-Backbone interact. energy: -1.930 local terms energy: -316.718481 where: bonds (distance) C4'-P energy: -60.396 bonds (distance) P-C4' energy: -74.127 flat angles C4'-P-C4' energy: -66.860 flat angles P-C4'-P energy: -49.361 tors. eta vs tors. theta energy: -65.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -815.326094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.326094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.326094 (E_RNA) where: Base-Base interactions energy: -535.625 where: short stacking energy: -231.236 Base-Backbone interact. energy: 1.789 local terms energy: -281.490278 where: bonds (distance) C4'-P energy: -66.598 bonds (distance) P-C4' energy: -68.707 flat angles C4'-P-C4' energy: -66.971 flat angles P-C4'-P energy: -43.427 tors. eta vs tors. theta energy: -35.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -591.440001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.440001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.440001 (E_RNA) where: Base-Base interactions energy: -356.395 where: short stacking energy: -178.017 Base-Backbone interact. energy: 2.774 local terms energy: -237.819010 where: bonds (distance) C4'-P energy: -72.161 bonds (distance) P-C4' energy: -76.514 flat angles C4'-P-C4' energy: -59.670 flat angles P-C4'-P energy: -20.264 tors. eta vs tors. theta energy: -9.210 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: 10 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1509.447818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.447818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.447818 (E_RNA) where: Base-Base interactions energy: -1035.672 where: short stacking energy: -432.841 Base-Backbone interact. energy: -4.772 local terms energy: -469.003922 where: bonds (distance) C4'-P energy: -80.793 bonds (distance) P-C4' energy: -93.339 flat angles C4'-P-C4' energy: -97.384 flat angles P-C4'-P energy: -65.678 tors. eta vs tors. theta energy: -131.809 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: 2 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1442.422092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.422092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.422092 (E_RNA) where: Base-Base interactions energy: -1005.337 where: short stacking energy: -437.514 Base-Backbone interact. energy: 0.167 local terms energy: -437.251982 where: bonds (distance) C4'-P energy: -82.669 bonds (distance) P-C4' energy: -75.041 flat angles C4'-P-C4' energy: -98.339 flat angles P-C4'-P energy: -61.353 tors. eta vs tors. theta energy: -119.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1347.290109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.290109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.290109 (E_RNA) where: Base-Base interactions energy: -935.964 where: short stacking energy: -407.328 Base-Backbone interact. energy: -4.259 local terms energy: -407.067057 where: bonds (distance) C4'-P energy: -68.922 bonds (distance) P-C4' energy: -81.617 flat angles C4'-P-C4' energy: -88.339 flat angles P-C4'-P energy: -62.349 tors. eta vs tors. theta energy: -105.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1316.339487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.339487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.339487 (E_RNA) where: Base-Base interactions energy: -909.878 where: short stacking energy: -401.482 Base-Backbone interact. energy: -0.289 local terms energy: -406.172744 where: bonds (distance) C4'-P energy: -72.878 bonds (distance) P-C4' energy: -81.836 flat angles C4'-P-C4' energy: -84.917 flat angles P-C4'-P energy: -57.235 tors. eta vs tors. theta energy: -109.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1287.340075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.340075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.340075 (E_RNA) where: Base-Base interactions energy: -880.355 where: short stacking energy: -366.551 Base-Backbone interact. energy: -2.910 local terms energy: -404.074494 where: bonds (distance) C4'-P energy: -74.465 bonds (distance) P-C4' energy: -83.493 flat angles C4'-P-C4' energy: -82.299 flat angles P-C4'-P energy: -61.083 tors. eta vs tors. theta energy: -102.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1117.481878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.481878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.481878 (E_RNA) where: Base-Base interactions energy: -740.113 where: short stacking energy: -345.593 Base-Backbone interact. energy: 0.581 local terms energy: -377.950219 where: bonds (distance) C4'-P energy: -73.727 bonds (distance) P-C4' energy: -81.699 flat angles C4'-P-C4' energy: -82.727 flat angles P-C4'-P energy: -55.146 tors. eta vs tors. theta energy: -84.651 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: 3 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1081.138209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.138209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.138209 (E_RNA) where: Base-Base interactions energy: -729.679 where: short stacking energy: -327.865 Base-Backbone interact. energy: -1.624 local terms energy: -349.835784 where: bonds (distance) C4'-P energy: -64.224 bonds (distance) P-C4' energy: -82.998 flat angles C4'-P-C4' energy: -69.844 flat angles P-C4'-P energy: -57.805 tors. eta vs tors. theta energy: -74.965 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: 7 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -958.584474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.584474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.584474 (E_RNA) where: Base-Base interactions energy: -612.101 where: short stacking energy: -285.088 Base-Backbone interact. energy: -2.284 local terms energy: -344.199542 where: bonds (distance) C4'-P energy: -69.926 bonds (distance) P-C4' energy: -79.488 flat angles C4'-P-C4' energy: -78.445 flat angles P-C4'-P energy: -44.539 tors. eta vs tors. theta energy: -71.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -873.884179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.884179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.884179 (E_RNA) where: Base-Base interactions energy: -558.942 where: short stacking energy: -266.071 Base-Backbone interact. energy: -3.104 local terms energy: -311.837886 where: bonds (distance) C4'-P energy: -75.467 bonds (distance) P-C4' energy: -76.718 flat angles C4'-P-C4' energy: -71.238 flat angles P-C4'-P energy: -36.183 tors. eta vs tors. theta energy: -52.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -544.139565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.139565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.139565 (E_RNA) where: Base-Base interactions energy: -295.422 where: short stacking energy: -150.692 Base-Backbone interact. energy: -1.242 local terms energy: -247.475386 where: bonds (distance) C4'-P energy: -69.945 bonds (distance) P-C4' energy: -73.331 flat angles C4'-P-C4' energy: -58.167 flat angles P-C4'-P energy: -39.022 tors. eta vs tors. theta energy: -7.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1541.254280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.254280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.254280 (E_RNA) where: Base-Base interactions energy: -1053.375 where: short stacking energy: -450.161 Base-Backbone interact. energy: -2.874 local terms energy: -485.005641 where: bonds (distance) C4'-P energy: -95.474 bonds (distance) P-C4' energy: -86.993 flat angles C4'-P-C4' energy: -101.281 flat angles P-C4'-P energy: -73.061 tors. eta vs tors. theta energy: -128.197 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: 2 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1472.856525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.856525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.856525 (E_RNA) where: Base-Base interactions energy: -1015.851 where: short stacking energy: -451.871 Base-Backbone interact. energy: -1.262 local terms energy: -455.743651 where: bonds (distance) C4'-P energy: -76.023 bonds (distance) P-C4' energy: -89.099 flat angles C4'-P-C4' energy: -99.780 flat angles P-C4'-P energy: -66.009 tors. eta vs tors. theta energy: -124.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1328.722019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.722019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.722019 (E_RNA) where: Base-Base interactions energy: -914.742 where: short stacking energy: -382.997 Base-Backbone interact. energy: -2.217 local terms energy: -411.762570 where: bonds (distance) C4'-P energy: -80.044 bonds (distance) P-C4' energy: -83.646 flat angles C4'-P-C4' energy: -93.443 flat angles P-C4'-P energy: -63.559 tors. eta vs tors. theta energy: -91.071 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: 8 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1342.818170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.818170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.818170 (E_RNA) where: Base-Base interactions energy: -936.364 where: short stacking energy: -382.506 Base-Backbone interact. energy: -1.943 local terms energy: -404.511197 where: bonds (distance) C4'-P energy: -83.320 bonds (distance) P-C4' energy: -76.518 flat angles C4'-P-C4' energy: -87.704 flat angles P-C4'-P energy: -60.122 tors. eta vs tors. theta energy: -96.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -1267.207870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.207870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.207870 (E_RNA) where: Base-Base interactions energy: -875.573 where: short stacking energy: -373.140 Base-Backbone interact. energy: -1.211 local terms energy: -390.424113 where: bonds (distance) C4'-P energy: -67.484 bonds (distance) P-C4' energy: -78.383 flat angles C4'-P-C4' energy: -90.609 flat angles P-C4'-P energy: -45.498 tors. eta vs tors. theta energy: -108.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1167.244677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.244677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.244677 (E_RNA) where: Base-Base interactions energy: -783.455 where: short stacking energy: -362.663 Base-Backbone interact. energy: -0.906 local terms energy: -382.884101 where: bonds (distance) C4'-P energy: -68.733 bonds (distance) P-C4' energy: -75.379 flat angles C4'-P-C4' energy: -88.509 flat angles P-C4'-P energy: -55.311 tors. eta vs tors. theta energy: -94.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1116.300701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.300701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.300701 (E_RNA) where: Base-Base interactions energy: -758.876 where: short stacking energy: -327.775 Base-Backbone interact. energy: -0.911 local terms energy: -356.513143 where: bonds (distance) C4'-P energy: -75.913 bonds (distance) P-C4' energy: -67.269 flat angles C4'-P-C4' energy: -84.436 flat angles P-C4'-P energy: -44.776 tors. eta vs tors. theta energy: -84.120 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: 7 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1002.289172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.289172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.289172 (E_RNA) where: Base-Base interactions energy: -651.577 where: short stacking energy: -306.556 Base-Backbone interact. energy: -1.789 local terms energy: -348.923504 where: bonds (distance) C4'-P energy: -69.360 bonds (distance) P-C4' energy: -64.750 flat angles C4'-P-C4' energy: -71.766 flat angles P-C4'-P energy: -58.606 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: 9, replica: 5 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -858.701417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.701417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.701417 (E_RNA) where: Base-Base interactions energy: -586.388 where: short stacking energy: -260.115 Base-Backbone interact. energy: -1.352 local terms energy: -270.961373 where: bonds (distance) C4'-P energy: -71.693 bonds (distance) P-C4' energy: -72.306 flat angles C4'-P-C4' energy: -60.665 flat angles P-C4'-P energy: -20.538 tors. eta vs tors. theta energy: -45.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -547.173658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.173658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.173658 (E_RNA) where: Base-Base interactions energy: -286.973 where: short stacking energy: -164.834 Base-Backbone interact. energy: -2.288 local terms energy: -257.913030 where: bonds (distance) C4'-P energy: -70.975 bonds (distance) P-C4' energy: -70.786 flat angles C4'-P-C4' energy: -71.376 flat angles P-C4'-P energy: -23.887 tors. eta vs tors. theta energy: -20.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1520.293683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.293683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.293683 (E_RNA) where: Base-Base interactions energy: -1051.367 where: short stacking energy: -465.934 Base-Backbone interact. energy: -3.440 local terms energy: -465.487601 where: bonds (distance) C4'-P energy: -84.889 bonds (distance) P-C4' energy: -83.308 flat angles C4'-P-C4' energy: -98.605 flat angles P-C4'-P energy: -67.131 tors. eta vs tors. theta energy: -131.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1498.566711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.566711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.566711 (E_RNA) where: Base-Base interactions energy: -1053.013 where: short stacking energy: -468.935 Base-Backbone interact. energy: -2.451 local terms energy: -443.102276 where: bonds (distance) C4'-P energy: -85.987 bonds (distance) P-C4' energy: -79.735 flat angles C4'-P-C4' energy: -85.846 flat angles P-C4'-P energy: -67.153 tors. eta vs tors. theta energy: -124.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1370.071120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.071120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.071120 (E_RNA) where: Base-Base interactions energy: -938.225 where: short stacking energy: -414.012 Base-Backbone interact. energy: -1.950 local terms energy: -429.896215 where: bonds (distance) C4'-P energy: -77.465 bonds (distance) P-C4' energy: -83.778 flat angles C4'-P-C4' energy: -89.494 flat angles P-C4'-P energy: -71.051 tors. eta vs tors. theta energy: -108.108 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: 176 Temperature: 1.050000 Total energy: -1322.464271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.464271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.464271 (E_RNA) where: Base-Base interactions energy: -923.621 where: short stacking energy: -405.953 Base-Backbone interact. energy: -1.029 local terms energy: -397.814279 where: bonds (distance) C4'-P energy: -70.871 bonds (distance) P-C4' energy: -75.027 flat angles C4'-P-C4' energy: -86.848 flat angles P-C4'-P energy: -55.658 tors. eta vs tors. theta energy: -109.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -1301.257050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.257050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.257050 (E_RNA) where: Base-Base interactions energy: -903.257 where: short stacking energy: -376.008 Base-Backbone interact. energy: -1.763 local terms energy: -396.236897 where: bonds (distance) C4'-P energy: -72.890 bonds (distance) P-C4' energy: -71.482 flat angles C4'-P-C4' energy: -90.285 flat angles P-C4'-P energy: -55.505 tors. eta vs tors. theta energy: -106.076 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: 9 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1154.157175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.157175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.157175 (E_RNA) where: Base-Base interactions energy: -768.989 where: short stacking energy: -374.907 Base-Backbone interact. energy: -0.793 local terms energy: -384.375909 where: bonds (distance) C4'-P energy: -75.284 bonds (distance) P-C4' energy: -68.349 flat angles C4'-P-C4' energy: -79.370 flat angles P-C4'-P energy: -48.109 tors. eta vs tors. theta energy: -113.263 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: 7, replica: 3 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1128.720398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.720398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.720398 (E_RNA) where: Base-Base interactions energy: -782.049 where: short stacking energy: -321.360 Base-Backbone interact. energy: -3.056 local terms energy: -343.614807 where: bonds (distance) C4'-P energy: -73.502 bonds (distance) P-C4' energy: -75.458 flat angles C4'-P-C4' energy: -82.813 flat angles P-C4'-P energy: -51.561 tors. eta vs tors. theta energy: -60.281 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: 7 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -998.256792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.256792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.256792 (E_RNA) where: Base-Base interactions energy: -667.846 where: short stacking energy: -294.710 Base-Backbone interact. energy: -1.051 local terms energy: -329.359109 where: bonds (distance) C4'-P energy: -51.327 bonds (distance) P-C4' energy: -66.682 flat angles C4'-P-C4' energy: -82.654 flat angles P-C4'-P energy: -47.538 tors. eta vs tors. theta energy: -81.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -805.680206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.680206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.680206 (E_RNA) where: Base-Base interactions energy: -534.023 where: short stacking energy: -246.350 Base-Backbone interact. energy: -2.656 local terms energy: -269.000872 where: bonds (distance) C4'-P energy: -54.824 bonds (distance) P-C4' energy: -73.393 flat angles C4'-P-C4' energy: -61.142 flat angles P-C4'-P energy: -40.103 tors. eta vs tors. theta energy: -39.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -555.086625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.086625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.086625 (E_RNA) where: Base-Base interactions energy: -299.936 where: short stacking energy: -149.757 Base-Backbone interact. energy: -0.147 local terms energy: -255.003863 where: bonds (distance) C4'-P energy: -74.399 bonds (distance) P-C4' energy: -75.402 flat angles C4'-P-C4' energy: -59.692 flat angles P-C4'-P energy: -33.089 tors. eta vs tors. theta energy: -12.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1519.703054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.703054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.703054 (E_RNA) where: Base-Base interactions energy: -1063.035 where: short stacking energy: -445.195 Base-Backbone interact. energy: -3.230 local terms energy: -453.437628 where: bonds (distance) C4'-P energy: -82.145 bonds (distance) P-C4' energy: -83.667 flat angles C4'-P-C4' energy: -87.970 flat angles P-C4'-P energy: -69.376 tors. eta vs tors. theta energy: -130.280 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: 2 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1501.443624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.443624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.443624 (E_RNA) where: Base-Base interactions energy: -1039.550 where: short stacking energy: -459.076 Base-Backbone interact. energy: -2.036 local terms energy: -459.857955 where: bonds (distance) C4'-P energy: -81.864 bonds (distance) P-C4' energy: -76.320 flat angles C4'-P-C4' energy: -105.076 flat angles P-C4'-P energy: -72.037 tors. eta vs tors. theta energy: -124.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1383.251371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.251371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.251371 (E_RNA) where: Base-Base interactions energy: -986.560 where: short stacking energy: -422.883 Base-Backbone interact. energy: -1.660 local terms energy: -395.031633 where: bonds (distance) C4'-P energy: -72.869 bonds (distance) P-C4' energy: -79.295 flat angles C4'-P-C4' energy: -82.074 flat angles P-C4'-P energy: -56.303 tors. eta vs tors. theta energy: -104.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1321.385941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.385941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.385941 (E_RNA) where: Base-Base interactions energy: -903.295 where: short stacking energy: -389.979 Base-Backbone interact. energy: 0.305 local terms energy: -418.396406 where: bonds (distance) C4'-P energy: -64.190 bonds (distance) P-C4' energy: -91.580 flat angles C4'-P-C4' energy: -98.464 flat angles P-C4'-P energy: -53.091 tors. eta vs tors. theta energy: -111.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1332.221234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.221234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.221234 (E_RNA) where: Base-Base interactions energy: -940.170 where: short stacking energy: -402.020 Base-Backbone interact. energy: 0.157 local terms energy: -392.207554 where: bonds (distance) C4'-P energy: -61.382 bonds (distance) P-C4' energy: -75.558 flat angles C4'-P-C4' energy: -89.024 flat angles P-C4'-P energy: -60.211 tors. eta vs tors. theta energy: -106.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1145.168590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.168590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.168590 (E_RNA) where: Base-Base interactions energy: -777.753 where: short stacking energy: -344.482 Base-Backbone interact. energy: -1.110 local terms energy: -366.304924 where: bonds (distance) C4'-P energy: -72.360 bonds (distance) P-C4' energy: -77.649 flat angles C4'-P-C4' energy: -83.792 flat angles P-C4'-P energy: -48.828 tors. eta vs tors. theta energy: -83.676 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: 3 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1089.728810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.728810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.728810 (E_RNA) where: Base-Base interactions energy: -769.954 where: short stacking energy: -298.281 Base-Backbone interact. energy: 1.400 local terms energy: -321.175436 where: bonds (distance) C4'-P energy: -65.432 bonds (distance) P-C4' energy: -68.198 flat angles C4'-P-C4' energy: -78.504 flat angles P-C4'-P energy: -50.464 tors. eta vs tors. theta energy: -58.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -985.721321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.721321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.721321 (E_RNA) where: Base-Base interactions energy: -663.992 where: short stacking energy: -308.969 Base-Backbone interact. energy: -2.607 local terms energy: -319.122199 where: bonds (distance) C4'-P energy: -69.945 bonds (distance) P-C4' energy: -65.132 flat angles C4'-P-C4' energy: -73.444 flat angles P-C4'-P energy: -33.488 tors. eta vs tors. theta energy: -77.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -869.803190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.803190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.803190 (E_RNA) where: Base-Base interactions energy: -588.553 where: short stacking energy: -253.751 Base-Backbone interact. energy: -2.240 local terms energy: -279.010833 where: bonds (distance) C4'-P energy: -58.370 bonds (distance) P-C4' energy: -82.438 flat angles C4'-P-C4' energy: -64.037 flat angles P-C4'-P energy: -30.928 tors. eta vs tors. theta energy: -43.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -467.768933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.768933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.768933 (E_RNA) where: Base-Base interactions energy: -224.730 where: short stacking energy: -151.658 Base-Backbone interact. energy: -0.140 local terms energy: -242.899753 where: bonds (distance) C4'-P energy: -54.294 bonds (distance) P-C4' energy: -82.966 flat angles C4'-P-C4' energy: -65.314 flat angles P-C4'-P energy: -45.431 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: 1, replica: 10 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1519.953590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.953590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.953590 (E_RNA) where: Base-Base interactions energy: -1055.974 where: short stacking energy: -446.035 Base-Backbone interact. energy: -3.873 local terms energy: -460.105714 where: bonds (distance) C4'-P energy: -91.315 bonds (distance) P-C4' energy: -88.862 flat angles C4'-P-C4' energy: -94.430 flat angles P-C4'-P energy: -58.366 tors. eta vs tors. theta energy: -127.132 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: 2 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1475.471203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.471203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.471203 (E_RNA) where: Base-Base interactions energy: -1024.902 where: short stacking energy: -438.672 Base-Backbone interact. energy: -1.850 local terms energy: -448.718665 where: bonds (distance) C4'-P energy: -87.964 bonds (distance) P-C4' energy: -80.029 flat angles C4'-P-C4' energy: -92.599 flat angles P-C4'-P energy: -67.936 tors. eta vs tors. theta energy: -120.191 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: 1 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1378.106825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.106825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.106825 (E_RNA) where: Base-Base interactions energy: -959.387 where: short stacking energy: -401.970 Base-Backbone interact. energy: -2.472 local terms energy: -416.247734 where: bonds (distance) C4'-P energy: -85.956 bonds (distance) P-C4' energy: -87.127 flat angles C4'-P-C4' energy: -93.186 flat angles P-C4'-P energy: -47.577 tors. eta vs tors. theta energy: -102.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1338.816385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.816385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.816385 (E_RNA) where: Base-Base interactions energy: -917.200 where: short stacking energy: -402.440 Base-Backbone interact. energy: -1.587 local terms energy: -420.028647 where: bonds (distance) C4'-P energy: -87.293 bonds (distance) P-C4' energy: -71.286 flat angles C4'-P-C4' energy: -90.938 flat angles P-C4'-P energy: -63.380 tors. eta vs tors. theta energy: -107.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1289.257257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.257257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.257257 (E_RNA) where: Base-Base interactions energy: -889.381 where: short stacking energy: -374.483 Base-Backbone interact. energy: -0.772 local terms energy: -399.104139 where: bonds (distance) C4'-P energy: -72.301 bonds (distance) P-C4' energy: -65.481 flat angles C4'-P-C4' energy: -91.199 flat angles P-C4'-P energy: -63.056 tors. eta vs tors. theta energy: -107.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1150.241760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.241760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.241760 (E_RNA) where: Base-Base interactions energy: -785.849 where: short stacking energy: -340.171 Base-Backbone interact. energy: -2.862 local terms energy: -361.531183 where: bonds (distance) C4'-P energy: -61.573 bonds (distance) P-C4' energy: -79.887 flat angles C4'-P-C4' energy: -83.247 flat angles P-C4'-P energy: -44.644 tors. eta vs tors. theta energy: -92.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1124.891996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.891996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.891996 (E_RNA) where: Base-Base interactions energy: -771.208 where: short stacking energy: -304.608 Base-Backbone interact. energy: 1.141 local terms energy: -354.824302 where: bonds (distance) C4'-P energy: -79.921 bonds (distance) P-C4' energy: -73.897 flat angles C4'-P-C4' energy: -75.029 flat angles P-C4'-P energy: -49.675 tors. eta vs tors. theta energy: -76.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1021.352513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.352513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.352513 (E_RNA) where: Base-Base interactions energy: -700.137 where: short stacking energy: -320.031 Base-Backbone interact. energy: -1.899 local terms energy: -319.316028 where: bonds (distance) C4'-P energy: -70.392 bonds (distance) P-C4' energy: -75.865 flat angles C4'-P-C4' energy: -77.410 flat angles P-C4'-P energy: -23.888 tors. eta vs tors. theta energy: -71.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -828.252753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.252753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.252753 (E_RNA) where: Base-Base interactions energy: -550.687 where: short stacking energy: -231.703 Base-Backbone interact. energy: 1.295 local terms energy: -278.861063 where: bonds (distance) C4'-P energy: -66.637 bonds (distance) P-C4' energy: -75.919 flat angles C4'-P-C4' energy: -65.504 flat angles P-C4'-P energy: -32.856 tors. eta vs tors. theta energy: -37.946 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: 10, replica: 4 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -427.952968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.952968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.952968 (E_RNA) where: Base-Base interactions energy: -210.865 where: short stacking energy: -159.539 Base-Backbone interact. energy: -2.060 local terms energy: -215.028323 where: bonds (distance) C4'-P energy: -65.280 bonds (distance) P-C4' energy: -65.788 flat angles C4'-P-C4' energy: -58.512 flat angles P-C4'-P energy: -30.152 tors. eta vs tors. theta energy: 4.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1522.028008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.028008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.028008 (E_RNA) where: Base-Base interactions energy: -1076.399 where: short stacking energy: -439.655 Base-Backbone interact. energy: -0.563 local terms energy: -445.066415 where: bonds (distance) C4'-P energy: -80.140 bonds (distance) P-C4' energy: -87.554 flat angles C4'-P-C4' energy: -92.384 flat angles P-C4'-P energy: -59.960 tors. eta vs tors. theta energy: -125.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1485.789373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.789373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.789373 (E_RNA) where: Base-Base interactions energy: -1037.741 where: short stacking energy: -450.067 Base-Backbone interact. energy: 0.465 local terms energy: -448.513847 where: bonds (distance) C4'-P energy: -81.001 bonds (distance) P-C4' energy: -89.972 flat angles C4'-P-C4' energy: -90.222 flat angles P-C4'-P energy: -67.226 tors. eta vs tors. theta energy: -120.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1357.891842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.891842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.891842 (E_RNA) where: Base-Base interactions energy: -953.923 where: short stacking energy: -392.177 Base-Backbone interact. energy: -3.738 local terms energy: -400.230943 where: bonds (distance) C4'-P energy: -57.561 bonds (distance) P-C4' energy: -84.932 flat angles C4'-P-C4' energy: -94.695 flat angles P-C4'-P energy: -56.808 tors. eta vs tors. theta energy: -106.236 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: 6 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1342.161882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.161882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.161882 (E_RNA) where: Base-Base interactions energy: -935.410 where: short stacking energy: -401.677 Base-Backbone interact. energy: -1.431 local terms energy: -405.320475 where: bonds (distance) C4'-P energy: -76.263 bonds (distance) P-C4' energy: -80.352 flat angles C4'-P-C4' energy: -81.529 flat angles P-C4'-P energy: -54.450 tors. eta vs tors. theta energy: -112.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1292.153251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.153251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.153251 (E_RNA) where: Base-Base interactions energy: -892.270 where: short stacking energy: -395.051 Base-Backbone interact. energy: -1.804 local terms energy: -398.078322 where: bonds (distance) C4'-P energy: -74.414 bonds (distance) P-C4' energy: -78.192 flat angles C4'-P-C4' energy: -78.916 flat angles P-C4'-P energy: -61.583 tors. eta vs tors. theta energy: -104.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1154.824061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.824061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.824061 (E_RNA) where: Base-Base interactions energy: -770.368 where: short stacking energy: -365.686 Base-Backbone interact. energy: -0.323 local terms energy: -384.132956 where: bonds (distance) C4'-P energy: -69.530 bonds (distance) P-C4' energy: -82.199 flat angles C4'-P-C4' energy: -76.332 flat angles P-C4'-P energy: -57.388 tors. eta vs tors. theta energy: -98.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1164.297202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.297202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.297202 (E_RNA) where: Base-Base interactions energy: -816.036 where: short stacking energy: -334.637 Base-Backbone interact. energy: -1.260 local terms energy: -347.001335 where: bonds (distance) C4'-P energy: -72.167 bonds (distance) P-C4' energy: -70.152 flat angles C4'-P-C4' energy: -83.833 flat angles P-C4'-P energy: -43.029 tors. eta vs tors. theta energy: -77.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -939.943224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.943224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.943224 (E_RNA) where: Base-Base interactions energy: -619.412 where: short stacking energy: -282.030 Base-Backbone interact. energy: 0.581 local terms energy: -321.111803 where: bonds (distance) C4'-P energy: -60.285 bonds (distance) P-C4' energy: -74.464 flat angles C4'-P-C4' energy: -72.968 flat angles P-C4'-P energy: -50.607 tors. eta vs tors. theta energy: -62.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -811.424421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.424421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.424421 (E_RNA) where: Base-Base interactions energy: -491.303 where: short stacking energy: -218.458 Base-Backbone interact. energy: -1.121 local terms energy: -319.000331 where: bonds (distance) C4'-P energy: -83.767 bonds (distance) P-C4' energy: -79.134 flat angles C4'-P-C4' energy: -72.474 flat angles P-C4'-P energy: -46.154 tors. eta vs tors. theta energy: -37.470 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: 4 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -431.371863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.371863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.371863 (E_RNA) where: Base-Base interactions energy: -208.362 where: short stacking energy: -117.372 Base-Backbone interact. energy: -1.726 local terms energy: -221.284524 where: bonds (distance) C4'-P energy: -50.412 bonds (distance) P-C4' energy: -73.196 flat angles C4'-P-C4' energy: -61.886 flat angles P-C4'-P energy: -30.481 tors. eta vs tors. theta energy: -5.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1548.126468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.126468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.126468 (E_RNA) where: Base-Base interactions energy: -1093.056 where: short stacking energy: -457.357 Base-Backbone interact. energy: -0.218 local terms energy: -454.852931 where: bonds (distance) C4'-P energy: -72.175 bonds (distance) P-C4' energy: -83.302 flat angles C4'-P-C4' energy: -103.309 flat angles P-C4'-P energy: -62.827 tors. eta vs tors. theta energy: -133.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1517.637696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.637696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.637696 (E_RNA) where: Base-Base interactions energy: -1057.174 where: short stacking energy: -456.733 Base-Backbone interact. energy: -1.005 local terms energy: -459.458832 where: bonds (distance) C4'-P energy: -83.531 bonds (distance) P-C4' energy: -78.152 flat angles C4'-P-C4' energy: -96.871 flat angles P-C4'-P energy: -73.573 tors. eta vs tors. theta energy: -127.332 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: 1 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1372.661776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.661776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.661776 (E_RNA) where: Base-Base interactions energy: -974.239 where: short stacking energy: -391.538 Base-Backbone interact. energy: -1.076 local terms energy: -397.346804 where: bonds (distance) C4'-P energy: -75.981 bonds (distance) P-C4' energy: -82.804 flat angles C4'-P-C4' energy: -84.696 flat angles P-C4'-P energy: -55.526 tors. eta vs tors. theta energy: -98.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1342.091817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.091817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.091817 (E_RNA) where: Base-Base interactions energy: -923.059 where: short stacking energy: -399.792 Base-Backbone interact. energy: -1.424 local terms energy: -417.609027 where: bonds (distance) C4'-P energy: -74.952 bonds (distance) P-C4' energy: -82.590 flat angles C4'-P-C4' energy: -81.719 flat angles P-C4'-P energy: -56.683 tors. eta vs tors. theta energy: -121.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -1303.605503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.605503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.605503 (E_RNA) where: Base-Base interactions energy: -916.935 where: short stacking energy: -413.813 Base-Backbone interact. energy: 4.980 local terms energy: -391.650734 where: bonds (distance) C4'-P energy: -73.470 bonds (distance) P-C4' energy: -78.838 flat angles C4'-P-C4' energy: -75.775 flat angles P-C4'-P energy: -55.671 tors. eta vs tors. theta energy: -107.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1115.635403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.635403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.635403 (E_RNA) where: Base-Base interactions energy: -754.374 where: short stacking energy: -341.502 Base-Backbone interact. energy: 0.753 local terms energy: -362.015052 where: bonds (distance) C4'-P energy: -66.583 bonds (distance) P-C4' energy: -81.331 flat angles C4'-P-C4' energy: -78.683 flat angles P-C4'-P energy: -55.851 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: 7, replica: 3 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1250.913383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.913383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.913383 (E_RNA) where: Base-Base interactions energy: -886.994 where: short stacking energy: -376.017 Base-Backbone interact. energy: 1.706 local terms energy: -365.625137 where: bonds (distance) C4'-P energy: -63.850 bonds (distance) P-C4' energy: -78.656 flat angles C4'-P-C4' energy: -70.017 flat angles P-C4'-P energy: -55.065 tors. eta vs tors. theta energy: -98.037 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: 7 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -971.394987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.394987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.394987 (E_RNA) where: Base-Base interactions energy: -670.382 where: short stacking energy: -286.751 Base-Backbone interact. energy: -1.999 local terms energy: -299.013916 where: bonds (distance) C4'-P energy: -47.876 bonds (distance) P-C4' energy: -85.409 flat angles C4'-P-C4' energy: -61.118 flat angles P-C4'-P energy: -47.050 tors. eta vs tors. theta energy: -57.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -859.921939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.921939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.921939 (E_RNA) where: Base-Base interactions energy: -553.885 where: short stacking energy: -246.521 Base-Backbone interact. energy: 0.389 local terms energy: -306.426294 where: bonds (distance) C4'-P energy: -75.512 bonds (distance) P-C4' energy: -75.812 flat angles C4'-P-C4' energy: -74.673 flat angles P-C4'-P energy: -37.075 tors. eta vs tors. theta energy: -43.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -472.720976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.720976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.720976 (E_RNA) where: Base-Base interactions energy: -234.184 where: short stacking energy: -110.953 Base-Backbone interact. energy: -1.540 local terms energy: -236.997132 where: bonds (distance) C4'-P energy: -65.783 bonds (distance) P-C4' energy: -76.162 flat angles C4'-P-C4' energy: -52.446 flat angles P-C4'-P energy: -34.367 tors. eta vs tors. theta energy: -8.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1531.800864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.800864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.800864 (E_RNA) where: Base-Base interactions energy: -1069.216 where: short stacking energy: -444.728 Base-Backbone interact. energy: 1.058 local terms energy: -463.642160 where: bonds (distance) C4'-P energy: -93.353 bonds (distance) P-C4' energy: -89.225 flat angles C4'-P-C4' energy: -91.021 flat angles P-C4'-P energy: -58.873 tors. eta vs tors. theta energy: -131.170 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: 2 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1488.338822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.338822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.338822 (E_RNA) where: Base-Base interactions energy: -1043.496 where: short stacking energy: -448.585 Base-Backbone interact. energy: 0.862 local terms energy: -445.704504 where: bonds (distance) C4'-P energy: -77.485 bonds (distance) P-C4' energy: -75.322 flat angles C4'-P-C4' energy: -104.072 flat angles P-C4'-P energy: -65.867 tors. eta vs tors. theta energy: -122.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1377.124345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.124345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.124345 (E_RNA) where: Base-Base interactions energy: -954.658 where: short stacking energy: -413.231 Base-Backbone interact. energy: -2.676 local terms energy: -419.790343 where: bonds (distance) C4'-P energy: -79.161 bonds (distance) P-C4' energy: -82.539 flat angles C4'-P-C4' energy: -90.165 flat angles P-C4'-P energy: -60.041 tors. eta vs tors. theta energy: -107.884 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: 6 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1339.067818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.067818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.067818 (E_RNA) where: Base-Base interactions energy: -939.969 where: short stacking energy: -413.826 Base-Backbone interact. energy: -1.798 local terms energy: -397.301090 where: bonds (distance) C4'-P energy: -90.912 bonds (distance) P-C4' energy: -78.642 flat angles C4'-P-C4' energy: -69.880 flat angles P-C4'-P energy: -50.591 tors. eta vs tors. theta energy: -107.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1315.454911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.454911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.454911 (E_RNA) where: Base-Base interactions energy: -909.578 where: short stacking energy: -401.039 Base-Backbone interact. energy: -0.864 local terms energy: -405.012145 where: bonds (distance) C4'-P energy: -78.415 bonds (distance) P-C4' energy: -66.644 flat angles C4'-P-C4' energy: -93.083 flat angles P-C4'-P energy: -58.777 tors. eta vs tors. theta energy: -108.094 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: 3 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1229.926896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.926896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.926896 (E_RNA) where: Base-Base interactions energy: -861.751 where: short stacking energy: -334.987 Base-Backbone interact. energy: -1.909 local terms energy: -366.266571 where: bonds (distance) C4'-P energy: -78.232 bonds (distance) P-C4' energy: -72.337 flat angles C4'-P-C4' energy: -81.659 flat angles P-C4'-P energy: -48.091 tors. eta vs tors. theta energy: -85.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1068.168860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.168860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.168860 (E_RNA) where: Base-Base interactions energy: -706.670 where: short stacking energy: -304.707 Base-Backbone interact. energy: 2.009 local terms energy: -363.507406 where: bonds (distance) C4'-P energy: -64.789 bonds (distance) P-C4' energy: -81.465 flat angles C4'-P-C4' energy: -80.118 flat angles P-C4'-P energy: -51.414 tors. eta vs tors. theta energy: -85.722 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: 8, replica: 7 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1000.977017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.977017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.977017 (E_RNA) where: Base-Base interactions energy: -671.928 where: short stacking energy: -291.778 Base-Backbone interact. energy: 1.480 local terms energy: -330.529458 where: bonds (distance) C4'-P energy: -51.169 bonds (distance) P-C4' energy: -82.776 flat angles C4'-P-C4' energy: -78.947 flat angles P-C4'-P energy: -44.692 tors. eta vs tors. theta energy: -72.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -854.631728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.631728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.631728 (E_RNA) where: Base-Base interactions energy: -549.308 where: short stacking energy: -241.247 Base-Backbone interact. energy: 0.697 local terms energy: -306.020558 where: bonds (distance) C4'-P energy: -71.483 bonds (distance) P-C4' energy: -78.065 flat angles C4'-P-C4' energy: -66.580 flat angles P-C4'-P energy: -39.159 tors. eta vs tors. theta energy: -50.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -449.542773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.542773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.542773 (E_RNA) where: Base-Base interactions energy: -216.584 where: short stacking energy: -136.884 Base-Backbone interact. energy: 7.424 local terms energy: -240.382648 where: bonds (distance) C4'-P energy: -67.806 bonds (distance) P-C4' energy: -72.652 flat angles C4'-P-C4' energy: -54.795 flat angles P-C4'-P energy: -44.081 tors. eta vs tors. theta energy: -1.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1531.435998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.435998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.435998 (E_RNA) where: Base-Base interactions energy: -1056.397 where: short stacking energy: -463.426 Base-Backbone interact. energy: -2.065 local terms energy: -472.974224 where: bonds (distance) C4'-P energy: -86.355 bonds (distance) P-C4' energy: -88.708 flat angles C4'-P-C4' energy: -102.812 flat angles P-C4'-P energy: -62.532 tors. eta vs tors. theta energy: -132.567 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: 2 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1489.138628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.138628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.138628 (E_RNA) where: Base-Base interactions energy: -1025.918 where: short stacking energy: -449.026 Base-Backbone interact. energy: -0.282 local terms energy: -462.937786 where: bonds (distance) C4'-P energy: -83.215 bonds (distance) P-C4' energy: -78.970 flat angles C4'-P-C4' energy: -101.879 flat angles P-C4'-P energy: -64.836 tors. eta vs tors. theta energy: -134.038 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: 1 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1375.514835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.514835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.514835 (E_RNA) where: Base-Base interactions energy: -956.833 where: short stacking energy: -406.436 Base-Backbone interact. energy: -0.800 local terms energy: -417.881187 where: bonds (distance) C4'-P energy: -80.584 bonds (distance) P-C4' energy: -85.694 flat angles C4'-P-C4' energy: -91.294 flat angles P-C4'-P energy: -50.587 tors. eta vs tors. theta energy: -109.723 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: 6 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1310.307036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.307036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.307036 (E_RNA) where: Base-Base interactions energy: -895.976 where: short stacking energy: -379.620 Base-Backbone interact. energy: 4.658 local terms energy: -418.989242 where: bonds (distance) C4'-P energy: -77.921 bonds (distance) P-C4' energy: -85.444 flat angles C4'-P-C4' energy: -88.694 flat angles P-C4'-P energy: -67.205 tors. eta vs tors. theta energy: -99.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1341.832853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.832853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.832853 (E_RNA) where: Base-Base interactions energy: -919.091 where: short stacking energy: -423.689 Base-Backbone interact. energy: 1.868 local terms energy: -424.610092 where: bonds (distance) C4'-P energy: -78.492 bonds (distance) P-C4' energy: -74.902 flat angles C4'-P-C4' energy: -100.427 flat angles P-C4'-P energy: -54.863 tors. eta vs tors. theta energy: -115.926 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: 3 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1293.314871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.314871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.314871 (E_RNA) where: Base-Base interactions energy: -913.122 where: short stacking energy: -383.533 Base-Backbone interact. energy: 8.636 local terms energy: -388.828479 where: bonds (distance) C4'-P energy: -78.274 bonds (distance) P-C4' energy: -64.618 flat angles C4'-P-C4' energy: -87.552 flat angles P-C4'-P energy: -57.917 tors. eta vs tors. theta energy: -100.467 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: 7 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1050.591246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.591246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.591246 (E_RNA) where: Base-Base interactions energy: -692.564 where: short stacking energy: -299.531 Base-Backbone interact. energy: -2.677 local terms energy: -355.349746 where: bonds (distance) C4'-P energy: -70.792 bonds (distance) P-C4' energy: -80.643 flat angles C4'-P-C4' energy: -80.937 flat angles P-C4'-P energy: -44.735 tors. eta vs tors. theta energy: -78.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1017.116067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.116067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.116067 (E_RNA) where: Base-Base interactions energy: -688.165 where: short stacking energy: -321.477 Base-Backbone interact. energy: -2.460 local terms energy: -326.490921 where: bonds (distance) C4'-P energy: -59.360 bonds (distance) P-C4' energy: -73.688 flat angles C4'-P-C4' energy: -78.187 flat angles P-C4'-P energy: -42.467 tors. eta vs tors. theta energy: -72.789 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: 9, replica: 5 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -863.279329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.279329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.279329 (E_RNA) where: Base-Base interactions energy: -573.683 where: short stacking energy: -254.955 Base-Backbone interact. energy: -3.535 local terms energy: -286.060990 where: bonds (distance) C4'-P energy: -74.228 bonds (distance) P-C4' energy: -51.988 flat angles C4'-P-C4' energy: -72.056 flat angles P-C4'-P energy: -39.163 tors. eta vs tors. theta energy: -48.626 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: 4 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -419.098127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.098127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.098127 (E_RNA) where: Base-Base interactions energy: -195.053 where: short stacking energy: -124.062 Base-Backbone interact. energy: 2.293 local terms energy: -226.337865 where: bonds (distance) C4'-P energy: -64.702 bonds (distance) P-C4' energy: -70.132 flat angles C4'-P-C4' energy: -54.601 flat angles P-C4'-P energy: -44.712 tors. eta vs tors. theta energy: 7.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1536.233416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.233416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.233416 (E_RNA) where: Base-Base interactions energy: -1057.254 where: short stacking energy: -454.315 Base-Backbone interact. energy: -5.071 local terms energy: -473.908996 where: bonds (distance) C4'-P energy: -87.411 bonds (distance) P-C4' energy: -85.134 flat angles C4'-P-C4' energy: -97.697 flat angles P-C4'-P energy: -65.801 tors. eta vs tors. theta energy: -137.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1462.879938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.879938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.879938 (E_RNA) where: Base-Base interactions energy: -1002.292 where: short stacking energy: -431.941 Base-Backbone interact. energy: 1.401 local terms energy: -461.989556 where: bonds (distance) C4'-P energy: -83.221 bonds (distance) P-C4' energy: -94.833 flat angles C4'-P-C4' energy: -95.998 flat angles P-C4'-P energy: -58.415 tors. eta vs tors. theta energy: -129.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1370.239172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.239172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.239172 (E_RNA) where: Base-Base interactions energy: -935.750 where: short stacking energy: -397.807 Base-Backbone interact. energy: -1.663 local terms energy: -432.825823 where: bonds (distance) C4'-P energy: -83.414 bonds (distance) P-C4' energy: -96.688 flat angles C4'-P-C4' energy: -90.071 flat angles P-C4'-P energy: -56.726 tors. eta vs tors. theta energy: -105.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1332.662113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.662113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.662113 (E_RNA) where: Base-Base interactions energy: -924.875 where: short stacking energy: -392.438 Base-Backbone interact. energy: -0.557 local terms energy: -407.229201 where: bonds (distance) C4'-P energy: -69.065 bonds (distance) P-C4' energy: -81.945 flat angles C4'-P-C4' energy: -82.410 flat angles P-C4'-P energy: -60.135 tors. eta vs tors. theta energy: -113.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -1279.708169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.708169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.708169 (E_RNA) where: Base-Base interactions energy: -894.839 where: short stacking energy: -386.876 Base-Backbone interact. energy: -0.949 local terms energy: -383.920487 where: bonds (distance) C4'-P energy: -78.203 bonds (distance) P-C4' energy: -71.759 flat angles C4'-P-C4' energy: -80.280 flat angles P-C4'-P energy: -45.596 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: 6, replica: 3 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1313.056058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.056058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.056058 (E_RNA) where: Base-Base interactions energy: -913.727 where: short stacking energy: -377.049 Base-Backbone interact. energy: -1.764 local terms energy: -397.565386 where: bonds (distance) C4'-P energy: -68.249 bonds (distance) P-C4' energy: -84.695 flat angles C4'-P-C4' energy: -91.232 flat angles P-C4'-P energy: -51.189 tors. eta vs tors. theta energy: -102.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1039.112049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.112049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.112049 (E_RNA) where: Base-Base interactions energy: -686.358 where: short stacking energy: -327.341 Base-Backbone interact. energy: 1.545 local terms energy: -354.299463 where: bonds (distance) C4'-P energy: -59.987 bonds (distance) P-C4' energy: -74.229 flat angles C4'-P-C4' energy: -82.315 flat angles P-C4'-P energy: -55.740 tors. eta vs tors. theta energy: -82.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1036.976948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.976948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.976948 (E_RNA) where: Base-Base interactions energy: -694.295 where: short stacking energy: -317.587 Base-Backbone interact. energy: -1.495 local terms energy: -341.186643 where: bonds (distance) C4'-P energy: -62.406 bonds (distance) P-C4' energy: -82.980 flat angles C4'-P-C4' energy: -78.840 flat angles P-C4'-P energy: -44.981 tors. eta vs tors. theta energy: -71.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -876.030825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.030825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.030825 (E_RNA) where: Base-Base interactions energy: -564.071 where: short stacking energy: -230.881 Base-Backbone interact. energy: 0.194 local terms energy: -312.153115 where: bonds (distance) C4'-P energy: -66.330 bonds (distance) P-C4' energy: -67.790 flat angles C4'-P-C4' energy: -77.294 flat angles P-C4'-P energy: -55.122 tors. eta vs tors. theta energy: -45.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -416.710068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.710068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.710068 (E_RNA) where: Base-Base interactions energy: -167.149 where: short stacking energy: -107.501 Base-Backbone interact. energy: -2.387 local terms energy: -247.173207 where: bonds (distance) C4'-P energy: -74.806 bonds (distance) P-C4' energy: -85.261 flat angles C4'-P-C4' energy: -52.412 flat angles P-C4'-P energy: -27.956 tors. eta vs tors. theta energy: -6.739 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: 1, replica: 10 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1524.922552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.922552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.922552 (E_RNA) where: Base-Base interactions energy: -1057.162 where: short stacking energy: -454.573 Base-Backbone interact. energy: 1.149 local terms energy: -468.909105 where: bonds (distance) C4'-P energy: -76.967 bonds (distance) P-C4' energy: -83.314 flat angles C4'-P-C4' energy: -105.681 flat angles P-C4'-P energy: -67.898 tors. eta vs tors. theta energy: -135.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1482.530303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.530303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.530303 (E_RNA) where: Base-Base interactions energy: -1019.701 where: short stacking energy: -445.685 Base-Backbone interact. energy: -0.625 local terms energy: -462.205208 where: bonds (distance) C4'-P energy: -83.330 bonds (distance) P-C4' energy: -78.613 flat angles C4'-P-C4' energy: -96.705 flat angles P-C4'-P energy: -73.834 tors. eta vs tors. theta energy: -129.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1369.931286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.931286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.931286 (E_RNA) where: Base-Base interactions energy: -960.335 where: short stacking energy: -424.431 Base-Backbone interact. energy: -0.913 local terms energy: -408.682843 where: bonds (distance) C4'-P energy: -72.294 bonds (distance) P-C4' energy: -83.588 flat angles C4'-P-C4' energy: -85.203 flat angles P-C4'-P energy: -53.022 tors. eta vs tors. theta energy: -114.576 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: 4, replica: 1 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1309.393598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.393598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.393598 (E_RNA) where: Base-Base interactions energy: -896.318 where: short stacking energy: -390.283 Base-Backbone interact. energy: 0.511 local terms energy: -413.586044 where: bonds (distance) C4'-P energy: -76.140 bonds (distance) P-C4' energy: -93.861 flat angles C4'-P-C4' energy: -91.565 flat angles P-C4'-P energy: -52.682 tors. eta vs tors. theta energy: -99.339 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: 3 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1327.210852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.210852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.210852 (E_RNA) where: Base-Base interactions energy: -922.335 where: short stacking energy: -375.796 Base-Backbone interact. energy: -2.666 local terms energy: -402.209501 where: bonds (distance) C4'-P energy: -79.537 bonds (distance) P-C4' energy: -72.639 flat angles C4'-P-C4' energy: -87.555 flat angles P-C4'-P energy: -48.779 tors. eta vs tors. theta energy: -113.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1227.834042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.834042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.834042 (E_RNA) where: Base-Base interactions energy: -855.182 where: short stacking energy: -385.574 Base-Backbone interact. energy: -0.519 local terms energy: -372.133039 where: bonds (distance) C4'-P energy: -58.770 bonds (distance) P-C4' energy: -78.381 flat angles C4'-P-C4' energy: -84.197 flat angles P-C4'-P energy: -54.975 tors. eta vs tors. theta energy: -95.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1018.890366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.890366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.890366 (E_RNA) where: Base-Base interactions energy: -671.669 where: short stacking energy: -311.911 Base-Backbone interact. energy: -1.742 local terms energy: -345.479924 where: bonds (distance) C4'-P energy: -78.932 bonds (distance) P-C4' energy: -55.785 flat angles C4'-P-C4' energy: -83.635 flat angles P-C4'-P energy: -50.654 tors. eta vs tors. theta energy: -76.474 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: 7 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -944.945999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.945999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.945999 (E_RNA) where: Base-Base interactions energy: -610.363 where: short stacking energy: -269.391 Base-Backbone interact. energy: -3.424 local terms energy: -331.158154 where: bonds (distance) C4'-P energy: -66.887 bonds (distance) P-C4' energy: -77.456 flat angles C4'-P-C4' energy: -72.917 flat angles P-C4'-P energy: -51.793 tors. eta vs tors. theta energy: -62.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -899.573993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.573993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.573993 (E_RNA) where: Base-Base interactions energy: -602.962 where: short stacking energy: -276.909 Base-Backbone interact. energy: 6.161 local terms energy: -302.773410 where: bonds (distance) C4'-P energy: -64.539 bonds (distance) P-C4' energy: -69.022 flat angles C4'-P-C4' energy: -59.172 flat angles P-C4'-P energy: -52.783 tors. eta vs tors. theta energy: -57.257 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: 4 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -426.777522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.777522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.777522 (E_RNA) where: Base-Base interactions energy: -197.109 where: short stacking energy: -121.612 Base-Backbone interact. energy: 1.398 local terms energy: -231.066290 where: bonds (distance) C4'-P energy: -72.857 bonds (distance) P-C4' energy: -74.282 flat angles C4'-P-C4' energy: -44.673 flat angles P-C4'-P energy: -38.172 tors. eta vs tors. theta energy: -1.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1540.073567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.073567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.073567 (E_RNA) where: Base-Base interactions energy: -1067.893 where: short stacking energy: -458.349 Base-Backbone interact. energy: -3.436 local terms energy: -468.744335 where: bonds (distance) C4'-P energy: -85.042 bonds (distance) P-C4' energy: -89.754 flat angles C4'-P-C4' energy: -92.213 flat angles P-C4'-P energy: -59.489 tors. eta vs tors. theta energy: -142.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1495.800557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.800557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.800557 (E_RNA) where: Base-Base interactions energy: -1038.205 where: short stacking energy: -463.682 Base-Backbone interact. energy: -0.624 local terms energy: -456.971613 where: bonds (distance) C4'-P energy: -73.953 bonds (distance) P-C4' energy: -80.187 flat angles C4'-P-C4' energy: -102.248 flat angles P-C4'-P energy: -71.717 tors. eta vs tors. theta energy: -128.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1350.554566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.554566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.554566 (E_RNA) where: Base-Base interactions energy: -958.385 where: short stacking energy: -387.820 Base-Backbone interact. energy: -1.139 local terms energy: -391.030725 where: bonds (distance) C4'-P energy: -77.406 bonds (distance) P-C4' energy: -66.337 flat angles C4'-P-C4' energy: -89.602 flat angles P-C4'-P energy: -58.867 tors. eta vs tors. theta energy: -98.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1412.079940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.079940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.079940 (E_RNA) where: Base-Base interactions energy: -975.042 where: short stacking energy: -417.849 Base-Backbone interact. energy: -2.235 local terms energy: -434.803139 where: bonds (distance) C4'-P energy: -78.432 bonds (distance) P-C4' energy: -85.555 flat angles C4'-P-C4' energy: -85.766 flat angles P-C4'-P energy: -65.097 tors. eta vs tors. theta energy: -119.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -1286.925283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.925283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.925283 (E_RNA) where: Base-Base interactions energy: -892.274 where: short stacking energy: -381.539 Base-Backbone interact. energy: -3.894 local terms energy: -390.757887 where: bonds (distance) C4'-P energy: -77.703 bonds (distance) P-C4' energy: -78.710 flat angles C4'-P-C4' energy: -82.746 flat angles P-C4'-P energy: -55.478 tors. eta vs tors. theta energy: -96.121 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: 185 Temperature: 1.150000 Total energy: -1233.676884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.676884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.676884 (E_RNA) where: Base-Base interactions energy: -858.090 where: short stacking energy: -367.365 Base-Backbone interact. energy: 3.336 local terms energy: -378.922952 where: bonds (distance) C4'-P energy: -70.313 bonds (distance) P-C4' energy: -88.045 flat angles C4'-P-C4' energy: -76.319 flat angles P-C4'-P energy: -43.448 tors. eta vs tors. theta energy: -100.799 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: 9 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1062.358470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.358470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.358470 (E_RNA) where: Base-Base interactions energy: -719.723 where: short stacking energy: -322.959 Base-Backbone interact. energy: 0.801 local terms energy: -343.436003 where: bonds (distance) C4'-P energy: -73.145 bonds (distance) P-C4' energy: -79.788 flat angles C4'-P-C4' energy: -76.024 flat angles P-C4'-P energy: -49.011 tors. eta vs tors. theta energy: -65.468 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: 5 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -904.556922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.556922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.556922 (E_RNA) where: Base-Base interactions energy: -610.440 where: short stacking energy: -262.533 Base-Backbone interact. energy: 5.409 local terms energy: -299.526320 where: bonds (distance) C4'-P energy: -67.931 bonds (distance) P-C4' energy: -72.170 flat angles C4'-P-C4' energy: -57.504 flat angles P-C4'-P energy: -51.298 tors. eta vs tors. theta energy: -50.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -913.695689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.695689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.695689 (E_RNA) where: Base-Base interactions energy: -597.942 where: short stacking energy: -273.882 Base-Backbone interact. energy: -1.729 local terms energy: -314.023822 where: bonds (distance) C4'-P energy: -55.382 bonds (distance) P-C4' energy: -65.681 flat angles C4'-P-C4' energy: -70.050 flat angles P-C4'-P energy: -60.554 tors. eta vs tors. theta energy: -62.356 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: 10, replica: 4 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -405.107847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.107847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.107847 (E_RNA) where: Base-Base interactions energy: -180.628 where: short stacking energy: -135.010 Base-Backbone interact. energy: -1.319 local terms energy: -223.160101 where: bonds (distance) C4'-P energy: -54.494 bonds (distance) P-C4' energy: -68.671 flat angles C4'-P-C4' energy: -50.143 flat angles P-C4'-P energy: -39.003 tors. eta vs tors. theta energy: -10.850 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: 10 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1563.516389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.516389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.516389 (E_RNA) where: Base-Base interactions energy: -1083.729 where: short stacking energy: -465.860 Base-Backbone interact. energy: -0.555 local terms energy: -479.232606 where: bonds (distance) C4'-P energy: -89.295 bonds (distance) P-C4' energy: -86.544 flat angles C4'-P-C4' energy: -97.994 flat angles P-C4'-P energy: -72.219 tors. eta vs tors. theta energy: -133.181 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: 2 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1490.283447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.283447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.283447 (E_RNA) where: Base-Base interactions energy: -1058.755 where: short stacking energy: -455.578 Base-Backbone interact. energy: -2.002 local terms energy: -429.525917 where: bonds (distance) C4'-P energy: -77.668 bonds (distance) P-C4' energy: -79.358 flat angles C4'-P-C4' energy: -86.913 flat angles P-C4'-P energy: -60.862 tors. eta vs tors. theta energy: -124.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1420.886079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.886079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.886079 (E_RNA) where: Base-Base interactions energy: -1008.105 where: short stacking energy: -424.277 Base-Backbone interact. energy: -3.254 local terms energy: -409.526881 where: bonds (distance) C4'-P energy: -73.908 bonds (distance) P-C4' energy: -78.952 flat angles C4'-P-C4' energy: -83.746 flat angles P-C4'-P energy: -48.400 tors. eta vs tors. theta energy: -124.522 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: 6 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1332.167857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.167857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.167857 (E_RNA) where: Base-Base interactions energy: -939.658 where: short stacking energy: -394.917 Base-Backbone interact. energy: -0.312 local terms energy: -392.198349 where: bonds (distance) C4'-P energy: -63.109 bonds (distance) P-C4' energy: -73.534 flat angles C4'-P-C4' energy: -89.444 flat angles P-C4'-P energy: -63.976 tors. eta vs tors. theta energy: -102.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1268.052219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.052219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.052219 (E_RNA) where: Base-Base interactions energy: -887.701 where: short stacking energy: -374.959 Base-Backbone interact. energy: -0.929 local terms energy: -379.422549 where: bonds (distance) C4'-P energy: -69.347 bonds (distance) P-C4' energy: -82.444 flat angles C4'-P-C4' energy: -83.067 flat angles P-C4'-P energy: -45.130 tors. eta vs tors. theta energy: -99.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1217.637916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.637916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.637916 (E_RNA) where: Base-Base interactions energy: -835.346 where: short stacking energy: -376.882 Base-Backbone interact. energy: -0.079 local terms energy: -382.212349 where: bonds (distance) C4'-P energy: -78.196 bonds (distance) P-C4' energy: -76.577 flat angles C4'-P-C4' energy: -82.109 flat angles P-C4'-P energy: -49.674 tors. eta vs tors. theta energy: -95.656 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: 9 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1027.356914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.356914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.356914 (E_RNA) where: Base-Base interactions energy: -674.428 where: short stacking energy: -321.233 Base-Backbone interact. energy: 0.284 local terms energy: -353.213079 where: bonds (distance) C4'-P energy: -67.133 bonds (distance) P-C4' energy: -67.322 flat angles C4'-P-C4' energy: -73.884 flat angles P-C4'-P energy: -58.126 tors. eta vs tors. theta energy: -86.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -898.593897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.593897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.593897 (E_RNA) where: Base-Base interactions energy: -583.469 where: short stacking energy: -251.648 Base-Backbone interact. energy: 1.196 local terms energy: -316.320234 where: bonds (distance) C4'-P energy: -76.097 bonds (distance) P-C4' energy: -71.220 flat angles C4'-P-C4' energy: -69.651 flat angles P-C4'-P energy: -41.648 tors. eta vs tors. theta energy: -57.704 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: 9, replica: 7 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -876.048912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.048912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.048912 (E_RNA) where: Base-Base interactions energy: -559.192 where: short stacking energy: -242.663 Base-Backbone interact. energy: 0.447 local terms energy: -317.304345 where: bonds (distance) C4'-P energy: -68.199 bonds (distance) P-C4' energy: -74.294 flat angles C4'-P-C4' energy: -76.785 flat angles P-C4'-P energy: -41.953 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: 10, replica: 4 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -405.377730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.377730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.377730 (E_RNA) where: Base-Base interactions energy: -181.829 where: short stacking energy: -126.661 Base-Backbone interact. energy: -3.152 local terms energy: -220.396125 where: bonds (distance) C4'-P energy: -56.397 bonds (distance) P-C4' energy: -62.846 flat angles C4'-P-C4' energy: -75.304 flat angles P-C4'-P energy: -33.612 tors. eta vs tors. theta energy: 7.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1535.453578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.453578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.453578 (E_RNA) where: Base-Base interactions energy: -1074.163 where: short stacking energy: -453.112 Base-Backbone interact. energy: -2.621 local terms energy: -458.669079 where: bonds (distance) C4'-P energy: -86.484 bonds (distance) P-C4' energy: -79.175 flat angles C4'-P-C4' energy: -96.572 flat angles P-C4'-P energy: -64.080 tors. eta vs tors. theta energy: -132.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1493.258622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.258622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.258622 (E_RNA) where: Base-Base interactions energy: -1036.070 where: short stacking energy: -449.199 Base-Backbone interact. energy: -1.618 local terms energy: -455.570745 where: bonds (distance) C4'-P energy: -85.871 bonds (distance) P-C4' energy: -90.391 flat angles C4'-P-C4' energy: -90.417 flat angles P-C4'-P energy: -59.729 tors. eta vs tors. theta energy: -129.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1408.221942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.221942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.221942 (E_RNA) where: Base-Base interactions energy: -1002.135 where: short stacking energy: -408.704 Base-Backbone interact. energy: -0.838 local terms energy: -405.248707 where: bonds (distance) C4'-P energy: -73.184 bonds (distance) P-C4' energy: -72.916 flat angles C4'-P-C4' energy: -92.881 flat angles P-C4'-P energy: -60.006 tors. eta vs tors. theta energy: -106.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1278.416411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.416411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.416411 (E_RNA) where: Base-Base interactions energy: -874.894 where: short stacking energy: -363.158 Base-Backbone interact. energy: 1.390 local terms energy: -404.913195 where: bonds (distance) C4'-P energy: -84.270 bonds (distance) P-C4' energy: -82.029 flat angles C4'-P-C4' energy: -82.111 flat angles P-C4'-P energy: -58.266 tors. eta vs tors. theta energy: -98.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1265.177436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.177436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.177436 (E_RNA) where: Base-Base interactions energy: -892.037 where: short stacking energy: -353.376 Base-Backbone interact. energy: -4.169 local terms energy: -368.972391 where: bonds (distance) C4'-P energy: -76.097 bonds (distance) P-C4' energy: -78.491 flat angles C4'-P-C4' energy: -73.527 flat angles P-C4'-P energy: -49.418 tors. eta vs tors. theta energy: -91.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1219.181992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.181992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.181992 (E_RNA) where: Base-Base interactions energy: -844.495 where: short stacking energy: -373.732 Base-Backbone interact. energy: 1.811 local terms energy: -376.498079 where: bonds (distance) C4'-P energy: -70.197 bonds (distance) P-C4' energy: -88.705 flat angles C4'-P-C4' energy: -72.128 flat angles P-C4'-P energy: -56.601 tors. eta vs tors. theta energy: -88.867 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: 187 Temperature: 1.200000 Total energy: -1060.136697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.136697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.136697 (E_RNA) where: Base-Base interactions energy: -743.218 where: short stacking energy: -329.901 Base-Backbone interact. energy: -1.011 local terms energy: -315.908150 where: bonds (distance) C4'-P energy: -53.321 bonds (distance) P-C4' energy: -56.393 flat angles C4'-P-C4' energy: -80.809 flat angles P-C4'-P energy: -48.750 tors. eta vs tors. theta energy: -76.635 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: 187 Temperature: 1.250000 Total energy: -839.297202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.297202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.297202 (E_RNA) where: Base-Base interactions energy: -543.276 where: short stacking energy: -253.141 Base-Backbone interact. energy: -1.787 local terms energy: -294.234297 where: bonds (distance) C4'-P energy: -52.594 bonds (distance) P-C4' energy: -74.101 flat angles C4'-P-C4' energy: -69.718 flat angles P-C4'-P energy: -50.713 tors. eta vs tors. theta energy: -47.109 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: 7 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -941.123958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.123958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.123958 (E_RNA) where: Base-Base interactions energy: -621.913 where: short stacking energy: -277.624 Base-Backbone interact. energy: -1.406 local terms energy: -317.804463 where: bonds (distance) C4'-P energy: -66.952 bonds (distance) P-C4' energy: -72.155 flat angles C4'-P-C4' energy: -72.183 flat angles P-C4'-P energy: -50.636 tors. eta vs tors. theta energy: -55.878 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: 4 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -442.049747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.049747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.049747 (E_RNA) where: Base-Base interactions energy: -210.110 where: short stacking energy: -131.603 Base-Backbone interact. energy: 0.435 local terms energy: -232.374398 where: bonds (distance) C4'-P energy: -52.994 bonds (distance) P-C4' energy: -81.688 flat angles C4'-P-C4' energy: -55.111 flat angles P-C4'-P energy: -42.275 tors. eta vs tors. theta energy: -0.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1559.245165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.245165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.245165 (E_RNA) where: Base-Base interactions energy: -1090.646 where: short stacking energy: -460.886 Base-Backbone interact. energy: 2.712 local terms energy: -471.311242 where: bonds (distance) C4'-P energy: -85.658 bonds (distance) P-C4' energy: -90.755 flat angles C4'-P-C4' energy: -98.536 flat angles P-C4'-P energy: -65.360 tors. eta vs tors. theta energy: -131.002 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: 2 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1489.047014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.047014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.047014 (E_RNA) where: Base-Base interactions energy: -1008.251 where: short stacking energy: -449.622 Base-Backbone interact. energy: -0.461 local terms energy: -480.335229 where: bonds (distance) C4'-P energy: -92.065 bonds (distance) P-C4' energy: -90.347 flat angles C4'-P-C4' energy: -99.308 flat angles P-C4'-P energy: -66.128 tors. eta vs tors. theta energy: -132.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1408.682121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.682121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.682121 (E_RNA) where: Base-Base interactions energy: -982.312 where: short stacking energy: -393.663 Base-Backbone interact. energy: -1.553 local terms energy: -424.817020 where: bonds (distance) C4'-P energy: -76.165 bonds (distance) P-C4' energy: -77.451 flat angles C4'-P-C4' energy: -98.038 flat angles P-C4'-P energy: -63.392 tors. eta vs tors. theta energy: -109.771 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: 4, replica: 6 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1330.238563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.238563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.238563 (E_RNA) where: Base-Base interactions energy: -906.762 where: short stacking energy: -405.887 Base-Backbone interact. energy: -1.089 local terms energy: -422.388141 where: bonds (distance) C4'-P energy: -71.211 bonds (distance) P-C4' energy: -84.093 flat angles C4'-P-C4' energy: -86.343 flat angles P-C4'-P energy: -67.727 tors. eta vs tors. theta energy: -113.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1269.350614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.350614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.350614 (E_RNA) where: Base-Base interactions energy: -889.095 where: short stacking energy: -373.561 Base-Backbone interact. energy: -1.057 local terms energy: -379.198981 where: bonds (distance) C4'-P energy: -77.564 bonds (distance) P-C4' energy: -74.779 flat angles C4'-P-C4' energy: -79.500 flat angles P-C4'-P energy: -51.509 tors. eta vs tors. theta energy: -95.847 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: 8 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1215.602604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.602604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.602604 (E_RNA) where: Base-Base interactions energy: -847.698 where: short stacking energy: -368.054 Base-Backbone interact. energy: -0.987 local terms energy: -366.917349 where: bonds (distance) C4'-P energy: -69.910 bonds (distance) P-C4' energy: -75.821 flat angles C4'-P-C4' energy: -82.269 flat angles P-C4'-P energy: -50.019 tors. eta vs tors. theta energy: -88.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1124.782945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.782945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.782945 (E_RNA) where: Base-Base interactions energy: -733.351 where: short stacking energy: -325.162 Base-Backbone interact. energy: -0.629 local terms energy: -390.803114 where: bonds (distance) C4'-P energy: -73.193 bonds (distance) P-C4' energy: -76.687 flat angles C4'-P-C4' energy: -90.091 flat angles P-C4'-P energy: -52.713 tors. eta vs tors. theta energy: -98.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -796.901772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.901772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.901772 (E_RNA) where: Base-Base interactions energy: -515.446 where: short stacking energy: -225.640 Base-Backbone interact. energy: 0.666 local terms energy: -282.122102 where: bonds (distance) C4'-P energy: -70.941 bonds (distance) P-C4' energy: -65.117 flat angles C4'-P-C4' energy: -77.292 flat angles P-C4'-P energy: -43.613 tors. eta vs tors. theta energy: -25.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -965.903896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.903896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.903896 (E_RNA) where: Base-Base interactions energy: -659.574 where: short stacking energy: -279.503 Base-Backbone interact. energy: -1.022 local terms energy: -305.308310 where: bonds (distance) C4'-P energy: -70.532 bonds (distance) P-C4' energy: -76.604 flat angles C4'-P-C4' energy: -64.046 flat angles P-C4'-P energy: -40.515 tors. eta vs tors. theta energy: -53.611 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: 4 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -424.708068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.708068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.708068 (E_RNA) where: Base-Base interactions energy: -183.539 where: short stacking energy: -123.258 Base-Backbone interact. energy: 3.211 local terms energy: -244.380274 where: bonds (distance) C4'-P energy: -71.960 bonds (distance) P-C4' energy: -73.845 flat angles C4'-P-C4' energy: -71.103 flat angles P-C4'-P energy: -37.496 tors. eta vs tors. theta energy: 10.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1517.802098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.802098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.802098 (E_RNA) where: Base-Base interactions energy: -1061.928 where: short stacking energy: -465.291 Base-Backbone interact. energy: -1.582 local terms energy: -454.292349 where: bonds (distance) C4'-P energy: -79.064 bonds (distance) P-C4' energy: -79.454 flat angles C4'-P-C4' energy: -95.813 flat angles P-C4'-P energy: -66.714 tors. eta vs tors. theta energy: -133.248 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: 2, replica: 2 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1474.310479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.310479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.310479 (E_RNA) where: Base-Base interactions energy: -1019.118 where: short stacking energy: -464.011 Base-Backbone interact. energy: -0.907 local terms energy: -454.285543 where: bonds (distance) C4'-P energy: -75.735 bonds (distance) P-C4' energy: -75.330 flat angles C4'-P-C4' energy: -103.673 flat angles P-C4'-P energy: -66.093 tors. eta vs tors. theta energy: -133.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1429.122290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.122290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.122290 (E_RNA) where: Base-Base interactions energy: -997.745 where: short stacking energy: -416.491 Base-Backbone interact. energy: -1.752 local terms energy: -429.625225 where: bonds (distance) C4'-P energy: -77.053 bonds (distance) P-C4' energy: -84.264 flat angles C4'-P-C4' energy: -93.912 flat angles P-C4'-P energy: -60.637 tors. eta vs tors. theta energy: -113.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1342.878041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.878041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.878041 (E_RNA) where: Base-Base interactions energy: -938.192 where: short stacking energy: -416.835 Base-Backbone interact. energy: -2.628 local terms energy: -402.058228 where: bonds (distance) C4'-P energy: -75.128 bonds (distance) P-C4' energy: -73.843 flat angles C4'-P-C4' energy: -82.799 flat angles P-C4'-P energy: -55.353 tors. eta vs tors. theta energy: -114.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -1286.266307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.266307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.266307 (E_RNA) where: Base-Base interactions energy: -905.998 where: short stacking energy: -368.487 Base-Backbone interact. energy: -3.405 local terms energy: -376.863457 where: bonds (distance) C4'-P energy: -64.840 bonds (distance) P-C4' energy: -76.927 flat angles C4'-P-C4' energy: -85.579 flat angles P-C4'-P energy: -57.678 tors. eta vs tors. theta energy: -91.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1205.676932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.676932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.676932 (E_RNA) where: Base-Base interactions energy: -828.544 where: short stacking energy: -370.736 Base-Backbone interact. energy: 2.369 local terms energy: -379.501807 where: bonds (distance) C4'-P energy: -84.095 bonds (distance) P-C4' energy: -64.414 flat angles C4'-P-C4' energy: -75.307 flat angles P-C4'-P energy: -56.092 tors. eta vs tors. theta energy: -99.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1115.326166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.326166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.326166 (E_RNA) where: Base-Base interactions energy: -757.066 where: short stacking energy: -347.521 Base-Backbone interact. energy: -0.724 local terms energy: -357.536335 where: bonds (distance) C4'-P energy: -70.122 bonds (distance) P-C4' energy: -80.857 flat angles C4'-P-C4' energy: -77.279 flat angles P-C4'-P energy: -44.078 tors. eta vs tors. theta energy: -85.200 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: 7 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -942.092689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.092689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.092689 (E_RNA) where: Base-Base interactions energy: -633.202 where: short stacking energy: -286.454 Base-Backbone interact. energy: -0.837 local terms energy: -308.053398 where: bonds (distance) C4'-P energy: -73.371 bonds (distance) P-C4' energy: -63.443 flat angles C4'-P-C4' energy: -65.571 flat angles P-C4'-P energy: -44.998 tors. eta vs tors. theta energy: -60.671 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: 5 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -763.252305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.252305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.252305 (E_RNA) where: Base-Base interactions energy: -491.150 where: short stacking energy: -218.201 Base-Backbone interact. energy: -0.068 local terms energy: -272.034244 where: bonds (distance) C4'-P energy: -69.926 bonds (distance) P-C4' energy: -64.192 flat angles C4'-P-C4' energy: -73.597 flat angles P-C4'-P energy: -24.459 tors. eta vs tors. theta energy: -39.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -469.711201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.711201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.711201 (E_RNA) where: Base-Base interactions energy: -214.019 where: short stacking energy: -126.256 Base-Backbone interact. energy: -1.455 local terms energy: -254.237193 where: bonds (distance) C4'-P energy: -68.158 bonds (distance) P-C4' energy: -68.582 flat angles C4'-P-C4' energy: -59.982 flat angles P-C4'-P energy: -46.786 tors. eta vs tors. theta energy: -10.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1500.835950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.835950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.835950 (E_RNA) where: Base-Base interactions energy: -1026.630 where: short stacking energy: -447.758 Base-Backbone interact. energy: -2.285 local terms energy: -471.921775 where: bonds (distance) C4'-P energy: -81.444 bonds (distance) P-C4' energy: -89.829 flat angles C4'-P-C4' energy: -95.094 flat angles P-C4'-P energy: -74.968 tors. eta vs tors. theta energy: -130.586 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: 2, replica: 2 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1521.898361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.898361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.898361 (E_RNA) where: Base-Base interactions energy: -1060.119 where: short stacking energy: -462.440 Base-Backbone interact. energy: -0.121 local terms energy: -461.657666 where: bonds (distance) C4'-P energy: -80.101 bonds (distance) P-C4' energy: -92.494 flat angles C4'-P-C4' energy: -94.103 flat angles P-C4'-P energy: -69.878 tors. eta vs tors. theta energy: -125.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1417.070044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.070044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.070044 (E_RNA) where: Base-Base interactions energy: -1001.240 where: short stacking energy: -436.630 Base-Backbone interact. energy: 0.615 local terms energy: -416.445209 where: bonds (distance) C4'-P energy: -75.446 bonds (distance) P-C4' energy: -78.666 flat angles C4'-P-C4' energy: -84.773 flat angles P-C4'-P energy: -59.128 tors. eta vs tors. theta energy: -118.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1350.088433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.088433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.088433 (E_RNA) where: Base-Base interactions energy: -906.466 where: short stacking energy: -413.609 Base-Backbone interact. energy: -2.465 local terms energy: -441.157269 where: bonds (distance) C4'-P energy: -85.973 bonds (distance) P-C4' energy: -82.222 flat angles C4'-P-C4' energy: -97.877 flat angles P-C4'-P energy: -53.830 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: 5, replica: 1 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1276.826985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.826985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.826985 (E_RNA) where: Base-Base interactions energy: -904.869 where: short stacking energy: -367.215 Base-Backbone interact. energy: -1.374 local terms energy: -370.583481 where: bonds (distance) C4'-P energy: -64.832 bonds (distance) P-C4' energy: -82.885 flat angles C4'-P-C4' energy: -75.529 flat angles P-C4'-P energy: -58.586 tors. eta vs tors. theta energy: -88.752 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: 8 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1195.782593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.782593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.782593 (E_RNA) where: Base-Base interactions energy: -834.883 where: short stacking energy: -370.489 Base-Backbone interact. energy: 1.816 local terms energy: -362.716011 where: bonds (distance) C4'-P energy: -71.821 bonds (distance) P-C4' energy: -75.776 flat angles C4'-P-C4' energy: -81.713 flat angles P-C4'-P energy: -49.383 tors. eta vs tors. theta energy: -84.023 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: 9 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1073.379779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.379779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.379779 (E_RNA) where: Base-Base interactions energy: -734.933 where: short stacking energy: -344.879 Base-Backbone interact. energy: -1.210 local terms energy: -337.237306 where: bonds (distance) C4'-P energy: -56.783 bonds (distance) P-C4' energy: -71.430 flat angles C4'-P-C4' energy: -85.592 flat angles P-C4'-P energy: -38.554 tors. eta vs tors. theta energy: -84.877 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: 7 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -974.145895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.145895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.145895 (E_RNA) where: Base-Base interactions energy: -663.534 where: short stacking energy: -292.365 Base-Backbone interact. energy: -1.588 local terms energy: -309.024568 where: bonds (distance) C4'-P energy: -76.187 bonds (distance) P-C4' energy: -72.541 flat angles C4'-P-C4' energy: -43.489 flat angles P-C4'-P energy: -46.519 tors. eta vs tors. theta energy: -70.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -745.934629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.934629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.934629 (E_RNA) where: Base-Base interactions energy: -455.717 where: short stacking energy: -217.321 Base-Backbone interact. energy: 5.465 local terms energy: -295.682526 where: bonds (distance) C4'-P energy: -75.669 bonds (distance) P-C4' energy: -72.976 flat angles C4'-P-C4' energy: -71.548 flat angles P-C4'-P energy: -37.773 tors. eta vs tors. theta energy: -37.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -485.869265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.869265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.869265 (E_RNA) where: Base-Base interactions energy: -229.049 where: short stacking energy: -143.465 Base-Backbone interact. energy: -1.670 local terms energy: -255.150012 where: bonds (distance) C4'-P energy: -67.313 bonds (distance) P-C4' energy: -75.642 flat angles C4'-P-C4' energy: -61.567 flat angles P-C4'-P energy: -38.585 tors. eta vs tors. theta energy: -12.044 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: 191 Temperature: 0.900000 Total energy: -1489.706945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.706945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.706945 (E_RNA) where: Base-Base interactions energy: -1052.789 where: short stacking energy: -441.393 Base-Backbone interact. energy: 1.111 local terms energy: -438.028090 where: bonds (distance) C4'-P energy: -89.711 bonds (distance) P-C4' energy: -86.081 flat angles C4'-P-C4' energy: -84.599 flat angles P-C4'-P energy: -56.253 tors. eta vs tors. theta energy: -121.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1482.048030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.048030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.048030 (E_RNA) where: Base-Base interactions energy: -1037.161 where: short stacking energy: -446.919 Base-Backbone interact. energy: -0.698 local terms energy: -444.188830 where: bonds (distance) C4'-P energy: -78.947 bonds (distance) P-C4' energy: -85.954 flat angles C4'-P-C4' energy: -94.149 flat angles P-C4'-P energy: -59.853 tors. eta vs tors. theta energy: -125.285 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: 3 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1403.308011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.308011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.308011 (E_RNA) where: Base-Base interactions energy: -984.082 where: short stacking energy: -404.884 Base-Backbone interact. energy: -2.362 local terms energy: -416.864788 where: bonds (distance) C4'-P energy: -84.961 bonds (distance) P-C4' energy: -76.336 flat angles C4'-P-C4' energy: -92.027 flat angles P-C4'-P energy: -53.956 tors. eta vs tors. theta energy: -109.584 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: 6 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1327.710474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.710474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.710474 (E_RNA) where: Base-Base interactions energy: -925.240 where: short stacking energy: -401.306 Base-Backbone interact. energy: -0.586 local terms energy: -401.884762 where: bonds (distance) C4'-P energy: -80.924 bonds (distance) P-C4' energy: -66.278 flat angles C4'-P-C4' energy: -91.263 flat angles P-C4'-P energy: -47.780 tors. eta vs tors. theta energy: -115.640 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: 1 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1281.836351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.836351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.836351 (E_RNA) where: Base-Base interactions energy: -894.175 where: short stacking energy: -373.609 Base-Backbone interact. energy: -2.150 local terms energy: -385.511313 where: bonds (distance) C4'-P energy: -59.099 bonds (distance) P-C4' energy: -85.300 flat angles C4'-P-C4' energy: -93.067 flat angles P-C4'-P energy: -58.106 tors. eta vs tors. theta energy: -89.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1234.945476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.945476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.945476 (E_RNA) where: Base-Base interactions energy: -837.633 where: short stacking energy: -393.486 Base-Backbone interact. energy: -1.767 local terms energy: -395.545622 where: bonds (distance) C4'-P energy: -76.357 bonds (distance) P-C4' energy: -68.114 flat angles C4'-P-C4' energy: -85.511 flat angles P-C4'-P energy: -56.921 tors. eta vs tors. theta energy: -108.643 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: 9 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1103.066304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.066304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.066304 (E_RNA) where: Base-Base interactions energy: -762.714 where: short stacking energy: -325.497 Base-Backbone interact. energy: -1.256 local terms energy: -339.096371 where: bonds (distance) C4'-P energy: -75.111 bonds (distance) P-C4' energy: -75.932 flat angles C4'-P-C4' energy: -78.586 flat angles P-C4'-P energy: -41.302 tors. eta vs tors. theta energy: -68.166 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: 8, replica: 7 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -970.189346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.189346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.189346 (E_RNA) where: Base-Base interactions energy: -640.232 where: short stacking energy: -297.478 Base-Backbone interact. energy: -1.763 local terms energy: -328.194698 where: bonds (distance) C4'-P energy: -62.158 bonds (distance) P-C4' energy: -63.248 flat angles C4'-P-C4' energy: -77.838 flat angles P-C4'-P energy: -49.815 tors. eta vs tors. theta energy: -75.137 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: 5 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -784.449449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.449449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.449449 (E_RNA) where: Base-Base interactions energy: -511.257 where: short stacking energy: -247.997 Base-Backbone interact. energy: -0.912 local terms energy: -272.279947 where: bonds (distance) C4'-P energy: -51.628 bonds (distance) P-C4' energy: -67.740 flat angles C4'-P-C4' energy: -64.890 flat angles P-C4'-P energy: -40.244 tors. eta vs tors. theta energy: -47.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -463.278476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.278476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.278476 (E_RNA) where: Base-Base interactions energy: -251.346 where: short stacking energy: -163.412 Base-Backbone interact. energy: -0.206 local terms energy: -211.726949 where: bonds (distance) C4'-P energy: -66.423 bonds (distance) P-C4' energy: -59.237 flat angles C4'-P-C4' energy: -58.973 flat angles P-C4'-P energy: -28.675 tors. eta vs tors. theta energy: 1.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1525.425101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.425101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.425101 (E_RNA) where: Base-Base interactions energy: -1065.126 where: short stacking energy: -467.978 Base-Backbone interact. energy: -1.117 local terms energy: -459.182597 where: bonds (distance) C4'-P energy: -85.613 bonds (distance) P-C4' energy: -85.906 flat angles C4'-P-C4' energy: -86.620 flat angles P-C4'-P energy: -64.818 tors. eta vs tors. theta energy: -136.226 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: 10 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1462.651011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.651011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.651011 (E_RNA) where: Base-Base interactions energy: -1012.806 where: short stacking energy: -432.430 Base-Backbone interact. energy: 2.752 local terms energy: -452.596137 where: bonds (distance) C4'-P energy: -87.742 bonds (distance) P-C4' energy: -86.593 flat angles C4'-P-C4' energy: -98.075 flat angles P-C4'-P energy: -52.570 tors. eta vs tors. theta energy: -127.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1455.135278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.135278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.135278 (E_RNA) where: Base-Base interactions energy: -1011.993 where: short stacking energy: -437.652 Base-Backbone interact. energy: -1.208 local terms energy: -441.934219 where: bonds (distance) C4'-P energy: -88.162 bonds (distance) P-C4' energy: -77.266 flat angles C4'-P-C4' energy: -93.292 flat angles P-C4'-P energy: -67.702 tors. eta vs tors. theta energy: -115.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1345.708238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.708238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.708238 (E_RNA) where: Base-Base interactions energy: -935.534 where: short stacking energy: -408.940 Base-Backbone interact. energy: -1.164 local terms energy: -409.010352 where: bonds (distance) C4'-P energy: -74.454 bonds (distance) P-C4' energy: -80.939 flat angles C4'-P-C4' energy: -91.211 flat angles P-C4'-P energy: -53.108 tors. eta vs tors. theta energy: -109.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -1281.453325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.453325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.453325 (E_RNA) where: Base-Base interactions energy: -901.459 where: short stacking energy: -375.592 Base-Backbone interact. energy: 0.109 local terms energy: -380.103074 where: bonds (distance) C4'-P energy: -75.278 bonds (distance) P-C4' energy: -73.982 flat angles C4'-P-C4' energy: -100.447 flat angles P-C4'-P energy: -46.164 tors. eta vs tors. theta energy: -84.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1192.409905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.409905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.409905 (E_RNA) where: Base-Base interactions energy: -799.211 where: short stacking energy: -361.776 Base-Backbone interact. energy: -2.075 local terms energy: -391.123218 where: bonds (distance) C4'-P energy: -67.110 bonds (distance) P-C4' energy: -79.337 flat angles C4'-P-C4' energy: -84.225 flat angles P-C4'-P energy: -54.633 tors. eta vs tors. theta energy: -105.819 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: 7, replica: 9 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1105.914473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.914473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.914473 (E_RNA) where: Base-Base interactions energy: -749.776 where: short stacking energy: -352.693 Base-Backbone interact. energy: -2.056 local terms energy: -354.082609 where: bonds (distance) C4'-P energy: -65.466 bonds (distance) P-C4' energy: -73.235 flat angles C4'-P-C4' energy: -80.302 flat angles P-C4'-P energy: -48.283 tors. eta vs tors. theta energy: -86.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -948.694373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.694373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.694373 (E_RNA) where: Base-Base interactions energy: -619.634 where: short stacking energy: -276.574 Base-Backbone interact. energy: -1.089 local terms energy: -327.971858 where: bonds (distance) C4'-P energy: -78.540 bonds (distance) P-C4' energy: -66.124 flat angles C4'-P-C4' energy: -67.880 flat angles P-C4'-P energy: -49.887 tors. eta vs tors. theta energy: -65.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -724.889293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.889293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.889293 (E_RNA) where: Base-Base interactions energy: -453.500 where: short stacking energy: -197.712 Base-Backbone interact. energy: -1.395 local terms energy: -269.994227 where: bonds (distance) C4'-P energy: -64.108 bonds (distance) P-C4' energy: -75.779 flat angles C4'-P-C4' energy: -67.472 flat angles P-C4'-P energy: -27.225 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: 10, replica: 4 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -456.453503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.453503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.453503 (E_RNA) where: Base-Base interactions energy: -236.860 where: short stacking energy: -161.925 Base-Backbone interact. energy: 1.425 local terms energy: -221.018070 where: bonds (distance) C4'-P energy: -55.310 bonds (distance) P-C4' energy: -77.760 flat angles C4'-P-C4' energy: -61.494 flat angles P-C4'-P energy: -27.319 tors. eta vs tors. theta energy: 0.864 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: 2 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1515.152388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.152388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.152388 (E_RNA) where: Base-Base interactions energy: -1054.312 where: short stacking energy: -463.339 Base-Backbone interact. energy: -0.205 local terms energy: -460.635802 where: bonds (distance) C4'-P energy: -76.870 bonds (distance) P-C4' energy: -79.115 flat angles C4'-P-C4' energy: -98.578 flat angles P-C4'-P energy: -74.109 tors. eta vs tors. theta energy: -131.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1476.459582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.459582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.459582 (E_RNA) where: Base-Base interactions energy: -1026.044 where: short stacking energy: -431.730 Base-Backbone interact. energy: -3.641 local terms energy: -446.775097 where: bonds (distance) C4'-P energy: -81.320 bonds (distance) P-C4' energy: -85.229 flat angles C4'-P-C4' energy: -96.868 flat angles P-C4'-P energy: -53.049 tors. eta vs tors. theta energy: -130.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1442.330877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.330877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.330877 (E_RNA) where: Base-Base interactions energy: -1005.362 where: short stacking energy: -431.425 Base-Backbone interact. energy: -2.057 local terms energy: -434.912432 where: bonds (distance) C4'-P energy: -81.966 bonds (distance) P-C4' energy: -68.770 flat angles C4'-P-C4' energy: -93.942 flat angles P-C4'-P energy: -62.791 tors. eta vs tors. theta energy: -127.443 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: 6 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1327.734446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.734446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.734446 (E_RNA) where: Base-Base interactions energy: -914.224 where: short stacking energy: -412.631 Base-Backbone interact. energy: -2.927 local terms energy: -410.583167 where: bonds (distance) C4'-P energy: -82.109 bonds (distance) P-C4' energy: -83.975 flat angles C4'-P-C4' energy: -91.387 flat angles P-C4'-P energy: -49.081 tors. eta vs tors. theta energy: -104.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -1252.799814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.799814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.799814 (E_RNA) where: Base-Base interactions energy: -880.689 where: short stacking energy: -375.356 Base-Backbone interact. energy: -0.983 local terms energy: -371.127666 where: bonds (distance) C4'-P energy: -77.651 bonds (distance) P-C4' energy: -78.548 flat angles C4'-P-C4' energy: -84.190 flat angles P-C4'-P energy: -50.524 tors. eta vs tors. theta energy: -80.215 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: 6, replica: 8 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1174.059051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.059051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.059051 (E_RNA) where: Base-Base interactions energy: -793.593 where: short stacking energy: -345.509 Base-Backbone interact. energy: 1.537 local terms energy: -382.003101 where: bonds (distance) C4'-P energy: -84.128 bonds (distance) P-C4' energy: -65.296 flat angles C4'-P-C4' energy: -87.589 flat angles P-C4'-P energy: -52.431 tors. eta vs tors. theta energy: -92.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1110.598766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.598766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.598766 (E_RNA) where: Base-Base interactions energy: -756.932 where: short stacking energy: -332.318 Base-Backbone interact. energy: -1.147 local terms energy: -352.520190 where: bonds (distance) C4'-P energy: -62.043 bonds (distance) P-C4' energy: -60.463 flat angles C4'-P-C4' energy: -84.870 flat angles P-C4'-P energy: -63.721 tors. eta vs tors. theta energy: -81.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -941.230854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.230854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.230854 (E_RNA) where: Base-Base interactions energy: -608.278 where: short stacking energy: -284.860 Base-Backbone interact. energy: 1.858 local terms energy: -334.810780 where: bonds (distance) C4'-P energy: -74.690 bonds (distance) P-C4' energy: -66.016 flat angles C4'-P-C4' energy: -70.399 flat angles P-C4'-P energy: -56.236 tors. eta vs tors. theta energy: -67.469 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: 5 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -726.071264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.071264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.071264 (E_RNA) where: Base-Base interactions energy: -456.332 where: short stacking energy: -208.855 Base-Backbone interact. energy: 0.273 local terms energy: -270.012532 where: bonds (distance) C4'-P energy: -74.439 bonds (distance) P-C4' energy: -63.280 flat angles C4'-P-C4' energy: -72.376 flat angles P-C4'-P energy: -33.379 tors. eta vs tors. theta energy: -26.539 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: 4 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -487.087174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.087174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.087174 (E_RNA) where: Base-Base interactions energy: -245.845 where: short stacking energy: -146.263 Base-Backbone interact. energy: 1.296 local terms energy: -242.537424 where: bonds (distance) C4'-P energy: -74.044 bonds (distance) P-C4' energy: -67.838 flat angles C4'-P-C4' energy: -69.594 flat angles P-C4'-P energy: -26.809 tors. eta vs tors. theta energy: -4.252 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: 2 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1520.028620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.028620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.028620 (E_RNA) where: Base-Base interactions energy: -1052.094 where: short stacking energy: -468.768 Base-Backbone interact. energy: -0.924 local terms energy: -467.010723 where: bonds (distance) C4'-P energy: -94.142 bonds (distance) P-C4' energy: -77.255 flat angles C4'-P-C4' energy: -97.942 flat angles P-C4'-P energy: -61.751 tors. eta vs tors. theta energy: -135.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1464.775451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.775451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.775451 (E_RNA) where: Base-Base interactions energy: -1020.367 where: short stacking energy: -430.427 Base-Backbone interact. energy: -2.339 local terms energy: -442.070029 where: bonds (distance) C4'-P energy: -83.653 bonds (distance) P-C4' energy: -65.462 flat angles C4'-P-C4' energy: -101.253 flat angles P-C4'-P energy: -60.151 tors. eta vs tors. theta energy: -131.551 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: 3, replica: 3 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1431.712423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.712423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.712423 (E_RNA) where: Base-Base interactions energy: -998.283 where: short stacking energy: -416.253 Base-Backbone interact. energy: -0.807 local terms energy: -432.622497 where: bonds (distance) C4'-P energy: -83.635 bonds (distance) P-C4' energy: -93.848 flat angles C4'-P-C4' energy: -80.651 flat angles P-C4'-P energy: -62.197 tors. eta vs tors. theta energy: -112.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1358.801101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.801101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.801101 (E_RNA) where: Base-Base interactions energy: -938.793 where: short stacking energy: -401.518 Base-Backbone interact. energy: -1.965 local terms energy: -418.043133 where: bonds (distance) C4'-P energy: -72.767 bonds (distance) P-C4' energy: -82.141 flat angles C4'-P-C4' energy: -92.823 flat angles P-C4'-P energy: -54.400 tors. eta vs tors. theta energy: -115.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -1251.344551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.344551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.344551 (E_RNA) where: Base-Base interactions energy: -871.003 where: short stacking energy: -358.243 Base-Backbone interact. energy: 1.229 local terms energy: -381.570471 where: bonds (distance) C4'-P energy: -80.531 bonds (distance) P-C4' energy: -78.588 flat angles C4'-P-C4' energy: -80.009 flat angles P-C4'-P energy: -52.956 tors. eta vs tors. theta energy: -89.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1202.909759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.909759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.909759 (E_RNA) where: Base-Base interactions energy: -817.366 where: short stacking energy: -376.590 Base-Backbone interact. energy: 2.055 local terms energy: -387.598210 where: bonds (distance) C4'-P energy: -71.051 bonds (distance) P-C4' energy: -82.898 flat angles C4'-P-C4' energy: -91.881 flat angles P-C4'-P energy: -53.380 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: 7, replica: 9 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1091.712937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.712937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.712937 (E_RNA) where: Base-Base interactions energy: -728.490 where: short stacking energy: -327.359 Base-Backbone interact. energy: -1.022 local terms energy: -362.201560 where: bonds (distance) C4'-P energy: -74.839 bonds (distance) P-C4' energy: -80.089 flat angles C4'-P-C4' energy: -73.361 flat angles P-C4'-P energy: -48.434 tors. eta vs tors. theta energy: -85.478 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: 7 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -920.999990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.999990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.999990 (E_RNA) where: Base-Base interactions energy: -602.375 where: short stacking energy: -263.037 Base-Backbone interact. energy: -1.511 local terms energy: -317.114534 where: bonds (distance) C4'-P energy: -57.413 bonds (distance) P-C4' energy: -69.708 flat angles C4'-P-C4' energy: -83.332 flat angles P-C4'-P energy: -33.860 tors. eta vs tors. theta energy: -72.802 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: 5 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -674.097761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.097761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.097761 (E_RNA) where: Base-Base interactions energy: -404.027 where: short stacking energy: -225.010 Base-Backbone interact. energy: 0.264 local terms energy: -270.333956 where: bonds (distance) C4'-P energy: -68.394 bonds (distance) P-C4' energy: -65.369 flat angles C4'-P-C4' energy: -53.922 flat angles P-C4'-P energy: -40.526 tors. eta vs tors. theta energy: -42.122 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: 4 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -486.164424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.164424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.164424 (E_RNA) where: Base-Base interactions energy: -257.648 where: short stacking energy: -128.777 Base-Backbone interact. energy: -2.220 local terms energy: -226.297036 where: bonds (distance) C4'-P energy: -61.882 bonds (distance) P-C4' energy: -66.297 flat angles C4'-P-C4' energy: -69.433 flat angles P-C4'-P energy: -29.116 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: 2 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1543.602045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.602045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.602045 (E_RNA) where: Base-Base interactions energy: -1075.010 where: short stacking energy: -474.555 Base-Backbone interact. energy: -1.720 local terms energy: -466.871383 where: bonds (distance) C4'-P energy: -75.490 bonds (distance) P-C4' energy: -78.099 flat angles C4'-P-C4' energy: -105.155 flat angles P-C4'-P energy: -72.832 tors. eta vs tors. theta energy: -135.296 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: 3 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1463.456610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.456610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.456610 (E_RNA) where: Base-Base interactions energy: -1021.965 where: short stacking energy: -447.649 Base-Backbone interact. energy: -2.406 local terms energy: -439.085754 where: bonds (distance) C4'-P energy: -72.617 bonds (distance) P-C4' energy: -87.315 flat angles C4'-P-C4' energy: -98.206 flat angles P-C4'-P energy: -69.506 tors. eta vs tors. theta energy: -111.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1439.058198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.058198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.058198 (E_RNA) where: Base-Base interactions energy: -1018.325 where: short stacking energy: -432.130 Base-Backbone interact. energy: -1.357 local terms energy: -419.376142 where: bonds (distance) C4'-P energy: -72.616 bonds (distance) P-C4' energy: -84.192 flat angles C4'-P-C4' energy: -89.024 flat angles P-C4'-P energy: -50.060 tors. eta vs tors. theta energy: -123.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1331.262004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.262004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.262004 (E_RNA) where: Base-Base interactions energy: -951.754 where: short stacking energy: -396.243 Base-Backbone interact. energy: 0.882 local terms energy: -380.389873 where: bonds (distance) C4'-P energy: -62.024 bonds (distance) P-C4' energy: -70.339 flat angles C4'-P-C4' energy: -88.879 flat angles P-C4'-P energy: -57.823 tors. eta vs tors. theta energy: -101.325 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: 6 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1326.017824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.017824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.017824 (E_RNA) where: Base-Base interactions energy: -908.580 where: short stacking energy: -405.923 Base-Backbone interact. energy: -1.312 local terms energy: -416.125886 where: bonds (distance) C4'-P energy: -88.254 bonds (distance) P-C4' energy: -72.874 flat angles C4'-P-C4' energy: -86.562 flat angles P-C4'-P energy: -56.225 tors. eta vs tors. theta energy: -112.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1185.428291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.428291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.428291 (E_RNA) where: Base-Base interactions energy: -796.396 where: short stacking energy: -362.684 Base-Backbone interact. energy: 0.888 local terms energy: -389.919788 where: bonds (distance) C4'-P energy: -87.141 bonds (distance) P-C4' energy: -73.182 flat angles C4'-P-C4' energy: -78.528 flat angles P-C4'-P energy: -50.201 tors. eta vs tors. theta energy: -100.868 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: 9 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1089.307100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.307100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.307100 (E_RNA) where: Base-Base interactions energy: -743.501 where: short stacking energy: -313.595 Base-Backbone interact. energy: -3.446 local terms energy: -342.359230 where: bonds (distance) C4'-P energy: -61.117 bonds (distance) P-C4' energy: -84.337 flat angles C4'-P-C4' energy: -74.644 flat angles P-C4'-P energy: -48.222 tors. eta vs tors. theta energy: -74.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -869.719322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.719322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.719322 (E_RNA) where: Base-Base interactions energy: -579.225 where: short stacking energy: -257.319 Base-Backbone interact. energy: -3.286 local terms energy: -287.208417 where: bonds (distance) C4'-P energy: -56.905 bonds (distance) P-C4' energy: -68.385 flat angles C4'-P-C4' energy: -70.150 flat angles P-C4'-P energy: -47.484 tors. eta vs tors. theta energy: -44.284 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: 9, replica: 5 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -717.119602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.119602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.119602 (E_RNA) where: Base-Base interactions energy: -428.101 where: short stacking energy: -202.548 Base-Backbone interact. energy: -2.112 local terms energy: -286.906107 where: bonds (distance) C4'-P energy: -67.511 bonds (distance) P-C4' energy: -67.767 flat angles C4'-P-C4' energy: -67.375 flat angles P-C4'-P energy: -44.077 tors. eta vs tors. theta energy: -40.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -503.271489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.271489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.271489 (E_RNA) where: Base-Base interactions energy: -270.697 where: short stacking energy: -140.701 Base-Backbone interact. energy: -0.148 local terms energy: -232.426191 where: bonds (distance) C4'-P energy: -62.676 bonds (distance) P-C4' energy: -82.090 flat angles C4'-P-C4' energy: -57.254 flat angles P-C4'-P energy: -33.923 tors. eta vs tors. theta energy: 3.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1530.350731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.350731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.350731 (E_RNA) where: Base-Base interactions energy: -1060.189 where: short stacking energy: -478.702 Base-Backbone interact. energy: 1.784 local terms energy: -471.946328 where: bonds (distance) C4'-P energy: -83.786 bonds (distance) P-C4' energy: -86.719 flat angles C4'-P-C4' energy: -102.045 flat angles P-C4'-P energy: -71.310 tors. eta vs tors. theta energy: -128.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1489.552129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.552129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.552129 (E_RNA) where: Base-Base interactions energy: -1040.519 where: short stacking energy: -462.142 Base-Backbone interact. energy: 1.439 local terms energy: -450.472451 where: bonds (distance) C4'-P energy: -92.435 bonds (distance) P-C4' energy: -74.659 flat angles C4'-P-C4' energy: -104.136 flat angles P-C4'-P energy: -58.135 tors. eta vs tors. theta energy: -121.106 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: 10 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1426.609959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.609959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.609959 (E_RNA) where: Base-Base interactions energy: -1004.475 where: short stacking energy: -430.910 Base-Backbone interact. energy: -2.114 local terms energy: -420.020763 where: bonds (distance) C4'-P energy: -74.901 bonds (distance) P-C4' energy: -74.428 flat angles C4'-P-C4' energy: -90.883 flat angles P-C4'-P energy: -55.213 tors. eta vs tors. theta energy: -124.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1328.975563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.975563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.975563 (E_RNA) where: Base-Base interactions energy: -938.402 where: short stacking energy: -380.877 Base-Backbone interact. energy: 1.296 local terms energy: -391.868994 where: bonds (distance) C4'-P energy: -79.711 bonds (distance) P-C4' energy: -81.741 flat angles C4'-P-C4' energy: -86.748 flat angles P-C4'-P energy: -48.970 tors. eta vs tors. theta energy: -94.699 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: 6 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -1316.858833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.858833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.858833 (E_RNA) where: Base-Base interactions energy: -911.609 where: short stacking energy: -393.552 Base-Backbone interact. energy: -1.147 local terms energy: -404.102834 where: bonds (distance) C4'-P energy: -77.429 bonds (distance) P-C4' energy: -72.226 flat angles C4'-P-C4' energy: -86.434 flat angles P-C4'-P energy: -59.308 tors. eta vs tors. theta energy: -108.706 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: 8 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1182.144024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.144024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.144024 (E_RNA) where: Base-Base interactions energy: -785.034 where: short stacking energy: -362.168 Base-Backbone interact. energy: -0.627 local terms energy: -396.483346 where: bonds (distance) C4'-P energy: -75.741 bonds (distance) P-C4' energy: -80.761 flat angles C4'-P-C4' energy: -88.234 flat angles P-C4'-P energy: -60.334 tors. eta vs tors. theta energy: -91.413 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: 7, replica: 9 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1101.485039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.485039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.485039 (E_RNA) where: Base-Base interactions energy: -737.572 where: short stacking energy: -318.942 Base-Backbone interact. energy: 1.539 local terms energy: -365.451935 where: bonds (distance) C4'-P energy: -74.098 bonds (distance) P-C4' energy: -71.752 flat angles C4'-P-C4' energy: -85.118 flat angles P-C4'-P energy: -54.325 tors. eta vs tors. theta energy: -80.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -869.675506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.675506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.675506 (E_RNA) where: Base-Base interactions energy: -531.780 where: short stacking energy: -245.026 Base-Backbone interact. energy: 0.298 local terms energy: -338.193397 where: bonds (distance) C4'-P energy: -85.733 bonds (distance) P-C4' energy: -71.641 flat angles C4'-P-C4' energy: -73.393 flat angles P-C4'-P energy: -49.328 tors. eta vs tors. theta energy: -58.098 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: 5 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -718.745236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.745236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.745236 (E_RNA) where: Base-Base interactions energy: -464.226 where: short stacking energy: -198.088 Base-Backbone interact. energy: -0.884 local terms energy: -253.634639 where: bonds (distance) C4'-P energy: -67.120 bonds (distance) P-C4' energy: -68.974 flat angles C4'-P-C4' energy: -61.917 flat angles P-C4'-P energy: -44.625 tors. eta vs tors. theta energy: -10.999 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: 4 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -538.004678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.004678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.004678 (E_RNA) where: Base-Base interactions energy: -308.189 where: short stacking energy: -152.784 Base-Backbone interact. energy: 5.438 local terms energy: -235.254004 where: bonds (distance) C4'-P energy: -68.123 bonds (distance) P-C4' energy: -76.803 flat angles C4'-P-C4' energy: -56.919 flat angles P-C4'-P energy: -27.597 tors. eta vs tors. theta energy: -5.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1521.055388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.055388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.055388 (E_RNA) where: Base-Base interactions energy: -1043.252 where: short stacking energy: -469.671 Base-Backbone interact. energy: 2.273 local terms energy: -480.076798 where: bonds (distance) C4'-P energy: -82.693 bonds (distance) P-C4' energy: -94.183 flat angles C4'-P-C4' energy: -99.813 flat angles P-C4'-P energy: -70.978 tors. eta vs tors. theta energy: -132.410 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: 10 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1460.852741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.852741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.852741 (E_RNA) where: Base-Base interactions energy: -1033.888 where: short stacking energy: -441.459 Base-Backbone interact. energy: -1.003 local terms energy: -425.962248 where: bonds (distance) C4'-P energy: -74.709 bonds (distance) P-C4' energy: -83.377 flat angles C4'-P-C4' energy: -88.298 flat angles P-C4'-P energy: -60.918 tors. eta vs tors. theta energy: -118.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1449.949607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.949607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.949607 (E_RNA) where: Base-Base interactions energy: -1001.213 where: short stacking energy: -430.143 Base-Backbone interact. energy: -3.405 local terms energy: -445.331107 where: bonds (distance) C4'-P energy: -77.480 bonds (distance) P-C4' energy: -88.110 flat angles C4'-P-C4' energy: -96.537 flat angles P-C4'-P energy: -59.772 tors. eta vs tors. theta energy: -123.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1349.113099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.113099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.113099 (E_RNA) where: Base-Base interactions energy: -916.222 where: short stacking energy: -396.794 Base-Backbone interact. energy: -3.544 local terms energy: -429.347485 where: bonds (distance) C4'-P energy: -86.478 bonds (distance) P-C4' energy: -70.915 flat angles C4'-P-C4' energy: -94.713 flat angles P-C4'-P energy: -57.923 tors. eta vs tors. theta energy: -119.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1251.915354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.915354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.915354 (E_RNA) where: Base-Base interactions energy: -863.422 where: short stacking energy: -367.653 Base-Backbone interact. energy: -1.119 local terms energy: -387.374246 where: bonds (distance) C4'-P energy: -68.393 bonds (distance) P-C4' energy: -81.620 flat angles C4'-P-C4' energy: -85.832 flat angles P-C4'-P energy: -53.363 tors. eta vs tors. theta energy: -98.166 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: 9 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1135.574490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.574490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.574490 (E_RNA) where: Base-Base interactions energy: -754.493 where: short stacking energy: -345.558 Base-Backbone interact. energy: -2.112 local terms energy: -378.969126 where: bonds (distance) C4'-P energy: -76.818 bonds (distance) P-C4' energy: -83.480 flat angles C4'-P-C4' energy: -86.070 flat angles P-C4'-P energy: -57.998 tors. eta vs tors. theta energy: -74.604 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: 8 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1125.854356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.854356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.854356 (E_RNA) where: Base-Base interactions energy: -780.392 where: short stacking energy: -329.551 Base-Backbone interact. energy: -1.143 local terms energy: -344.319703 where: bonds (distance) C4'-P energy: -60.884 bonds (distance) P-C4' energy: -75.622 flat angles C4'-P-C4' energy: -85.222 flat angles P-C4'-P energy: -33.719 tors. eta vs tors. theta energy: -88.872 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: 7 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -911.166435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.166435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.166435 (E_RNA) where: Base-Base interactions energy: -577.283 where: short stacking energy: -285.739 Base-Backbone interact. energy: 3.571 local terms energy: -337.454874 where: bonds (distance) C4'-P energy: -69.279 bonds (distance) P-C4' energy: -77.486 flat angles C4'-P-C4' energy: -76.057 flat angles P-C4'-P energy: -46.425 tors. eta vs tors. theta energy: -68.208 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: 5 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -721.589978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.589978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.589978 (E_RNA) where: Base-Base interactions energy: -440.564 where: short stacking energy: -211.789 Base-Backbone interact. energy: 1.348 local terms energy: -282.374678 where: bonds (distance) C4'-P energy: -67.321 bonds (distance) P-C4' energy: -71.273 flat angles C4'-P-C4' energy: -56.990 flat angles P-C4'-P energy: -36.419 tors. eta vs tors. theta energy: -50.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -559.454869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.454869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.454869 (E_RNA) where: Base-Base interactions energy: -308.474 where: short stacking energy: -145.901 Base-Backbone interact. energy: 1.069 local terms energy: -252.049995 where: bonds (distance) C4'-P energy: -79.886 bonds (distance) P-C4' energy: -62.265 flat angles C4'-P-C4' energy: -59.231 flat angles P-C4'-P energy: -45.535 tors. eta vs tors. theta energy: -5.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1487.529438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.529438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.529438 (E_RNA) where: Base-Base interactions energy: -1032.420 where: short stacking energy: -456.068 Base-Backbone interact. energy: -2.900 local terms energy: -452.209669 where: bonds (distance) C4'-P energy: -79.304 bonds (distance) P-C4' energy: -81.761 flat angles C4'-P-C4' energy: -96.863 flat angles P-C4'-P energy: -60.137 tors. eta vs tors. theta energy: -134.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1511.900832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.900832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.900832 (E_RNA) where: Base-Base interactions energy: -1052.157 where: short stacking energy: -470.261 Base-Backbone interact. energy: -1.587 local terms energy: -458.156827 where: bonds (distance) C4'-P energy: -77.721 bonds (distance) P-C4' energy: -81.621 flat angles C4'-P-C4' energy: -99.224 flat angles P-C4'-P energy: -63.904 tors. eta vs tors. theta energy: -135.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1459.735451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.735451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.735451 (E_RNA) where: Base-Base interactions energy: -1009.724 where: short stacking energy: -435.610 Base-Backbone interact. energy: -4.458 local terms energy: -445.553125 where: bonds (distance) C4'-P energy: -77.517 bonds (distance) P-C4' energy: -87.260 flat angles C4'-P-C4' energy: -94.722 flat angles P-C4'-P energy: -59.726 tors. eta vs tors. theta energy: -126.328 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: 6 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1354.790323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.790323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.790323 (E_RNA) where: Base-Base interactions energy: -928.689 where: short stacking energy: -389.211 Base-Backbone interact. energy: -0.153 local terms energy: -425.948079 where: bonds (distance) C4'-P energy: -71.062 bonds (distance) P-C4' energy: -80.119 flat angles C4'-P-C4' energy: -92.530 flat angles P-C4'-P energy: -65.423 tors. eta vs tors. theta energy: -116.814 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: 5, replica: 1 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1305.700822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.700822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.700822 (E_RNA) where: Base-Base interactions energy: -913.432 where: short stacking energy: -359.994 Base-Backbone interact. energy: -1.888 local terms energy: -390.380869 where: bonds (distance) C4'-P energy: -59.806 bonds (distance) P-C4' energy: -70.195 flat angles C4'-P-C4' energy: -100.007 flat angles P-C4'-P energy: -57.590 tors. eta vs tors. theta energy: -102.783 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: 9 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1139.677925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.677925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.677925 (E_RNA) where: Base-Base interactions energy: -764.878 where: short stacking energy: -342.860 Base-Backbone interact. energy: -0.044 local terms energy: -374.756365 where: bonds (distance) C4'-P energy: -73.847 bonds (distance) P-C4' energy: -66.080 flat angles C4'-P-C4' energy: -78.288 flat angles P-C4'-P energy: -65.700 tors. eta vs tors. theta energy: -90.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1134.820001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.820001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.820001 (E_RNA) where: Base-Base interactions energy: -796.119 where: short stacking energy: -353.620 Base-Backbone interact. energy: -1.272 local terms energy: -337.428665 where: bonds (distance) C4'-P energy: -64.016 bonds (distance) P-C4' energy: -63.978 flat angles C4'-P-C4' energy: -72.696 flat angles P-C4'-P energy: -41.695 tors. eta vs tors. theta energy: -95.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -908.855296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.855296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.855296 (E_RNA) where: Base-Base interactions energy: -590.530 where: short stacking energy: -293.864 Base-Backbone interact. energy: -2.645 local terms energy: -315.680013 where: bonds (distance) C4'-P energy: -61.491 bonds (distance) P-C4' energy: -83.482 flat angles C4'-P-C4' energy: -66.125 flat angles P-C4'-P energy: -44.678 tors. eta vs tors. theta energy: -59.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -705.486710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.486710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.486710 (E_RNA) where: Base-Base interactions energy: -430.378 where: short stacking energy: -207.764 Base-Backbone interact. energy: 1.644 local terms energy: -276.752065 where: bonds (distance) C4'-P energy: -71.940 bonds (distance) P-C4' energy: -66.398 flat angles C4'-P-C4' energy: -58.147 flat angles P-C4'-P energy: -53.010 tors. eta vs tors. theta energy: -27.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -525.602816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.602816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.602816 (E_RNA) where: Base-Base interactions energy: -279.069 where: short stacking energy: -152.451 Base-Backbone interact. energy: 1.198 local terms energy: -247.731738 where: bonds (distance) C4'-P energy: -65.752 bonds (distance) P-C4' energy: -74.569 flat angles C4'-P-C4' energy: -70.719 flat angles P-C4'-P energy: -25.763 tors. eta vs tors. theta energy: -10.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1504.012060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.012060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.012060 (E_RNA) where: Base-Base interactions energy: -1015.502 where: short stacking energy: -427.809 Base-Backbone interact. energy: -1.376 local terms energy: -487.134077 where: bonds (distance) C4'-P energy: -84.861 bonds (distance) P-C4' energy: -88.683 flat angles C4'-P-C4' energy: -104.296 flat angles P-C4'-P energy: -72.350 tors. eta vs tors. theta energy: -136.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1485.024631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.024631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.024631 (E_RNA) where: Base-Base interactions energy: -1032.935 where: short stacking energy: -447.140 Base-Backbone interact. energy: -2.270 local terms energy: -449.819654 where: bonds (distance) C4'-P energy: -87.323 bonds (distance) P-C4' energy: -94.511 flat angles C4'-P-C4' energy: -84.658 flat angles P-C4'-P energy: -53.974 tors. eta vs tors. theta energy: -129.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1470.804014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.804014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.804014 (E_RNA) where: Base-Base interactions energy: -1024.655 where: short stacking energy: -458.772 Base-Backbone interact. energy: -2.013 local terms energy: -444.135833 where: bonds (distance) C4'-P energy: -76.173 bonds (distance) P-C4' energy: -86.378 flat angles C4'-P-C4' energy: -92.666 flat angles P-C4'-P energy: -59.905 tors. eta vs tors. theta energy: -129.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1326.224292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.224292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.224292 (E_RNA) where: Base-Base interactions energy: -922.267 where: short stacking energy: -395.066 Base-Backbone interact. energy: -2.045 local terms energy: -401.912718 where: bonds (distance) C4'-P energy: -67.589 bonds (distance) P-C4' energy: -83.120 flat angles C4'-P-C4' energy: -91.037 flat angles P-C4'-P energy: -56.234 tors. eta vs tors. theta energy: -103.933 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: 1 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1294.781312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.781312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.781312 (E_RNA) where: Base-Base interactions energy: -909.689 where: short stacking energy: -370.629 Base-Backbone interact. energy: -1.603 local terms energy: -383.489701 where: bonds (distance) C4'-P energy: -63.801 bonds (distance) P-C4' energy: -79.235 flat angles C4'-P-C4' energy: -84.202 flat angles P-C4'-P energy: -53.018 tors. eta vs tors. theta energy: -103.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1193.536475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.536475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.536475 (E_RNA) where: Base-Base interactions energy: -803.345 where: short stacking energy: -353.039 Base-Backbone interact. energy: -0.819 local terms energy: -389.372077 where: bonds (distance) C4'-P energy: -71.538 bonds (distance) P-C4' energy: -76.095 flat angles C4'-P-C4' energy: -80.502 flat angles P-C4'-P energy: -59.075 tors. eta vs tors. theta energy: -102.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1125.100120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.100120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.100120 (E_RNA) where: Base-Base interactions energy: -767.963 where: short stacking energy: -334.840 Base-Backbone interact. energy: -2.448 local terms energy: -354.688936 where: bonds (distance) C4'-P energy: -75.124 bonds (distance) P-C4' energy: -77.645 flat angles C4'-P-C4' energy: -79.170 flat angles P-C4'-P energy: -47.697 tors. eta vs tors. theta energy: -75.054 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: 7 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -899.081698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.081698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.081698 (E_RNA) where: Base-Base interactions energy: -576.972 where: short stacking energy: -274.616 Base-Backbone interact. energy: -2.006 local terms energy: -320.104517 where: bonds (distance) C4'-P energy: -79.564 bonds (distance) P-C4' energy: -62.164 flat angles C4'-P-C4' energy: -65.263 flat angles P-C4'-P energy: -54.785 tors. eta vs tors. theta energy: -58.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -738.042918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.042918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.042918 (E_RNA) where: Base-Base interactions energy: -463.078 where: short stacking energy: -215.261 Base-Backbone interact. energy: -1.792 local terms energy: -273.172773 where: bonds (distance) C4'-P energy: -64.745 bonds (distance) P-C4' energy: -78.559 flat angles C4'-P-C4' energy: -64.343 flat angles P-C4'-P energy: -41.701 tors. eta vs tors. theta energy: -23.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -505.450887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.450887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.450887 (E_RNA) where: Base-Base interactions energy: -262.234 where: short stacking energy: -151.392 Base-Backbone interact. energy: -1.836 local terms energy: -241.380797 where: bonds (distance) C4'-P energy: -59.896 bonds (distance) P-C4' energy: -59.169 flat angles C4'-P-C4' energy: -70.571 flat angles P-C4'-P energy: -38.451 tors. eta vs tors. theta energy: -13.294 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: 3 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1515.048853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.048853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.048853 (E_RNA) where: Base-Base interactions energy: -1050.441 where: short stacking energy: -460.234 Base-Backbone interact. energy: -3.408 local terms energy: -461.199852 where: bonds (distance) C4'-P energy: -78.036 bonds (distance) P-C4' energy: -90.298 flat angles C4'-P-C4' energy: -92.680 flat angles P-C4'-P energy: -69.445 tors. eta vs tors. theta energy: -130.740 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: 10 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1446.669699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.669699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.669699 (E_RNA) where: Base-Base interactions energy: -994.035 where: short stacking energy: -435.392 Base-Backbone interact. energy: 3.305 local terms energy: -455.940203 where: bonds (distance) C4'-P energy: -80.553 bonds (distance) P-C4' energy: -92.197 flat angles C4'-P-C4' energy: -90.433 flat angles P-C4'-P energy: -66.445 tors. eta vs tors. theta energy: -126.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1447.174185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.174185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.174185 (E_RNA) where: Base-Base interactions energy: -1006.556 where: short stacking energy: -427.723 Base-Backbone interact. energy: -0.852 local terms energy: -439.766389 where: bonds (distance) C4'-P energy: -86.497 bonds (distance) P-C4' energy: -77.664 flat angles C4'-P-C4' energy: -93.485 flat angles P-C4'-P energy: -59.111 tors. eta vs tors. theta energy: -123.009 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: 6 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1334.254379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.254379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.254379 (E_RNA) where: Base-Base interactions energy: -913.296 where: short stacking energy: -413.507 Base-Backbone interact. energy: -0.481 local terms energy: -420.477062 where: bonds (distance) C4'-P energy: -88.404 bonds (distance) P-C4' energy: -72.775 flat angles C4'-P-C4' energy: -90.937 flat angles P-C4'-P energy: -58.228 tors. eta vs tors. theta energy: -110.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1236.041613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.041613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.041613 (E_RNA) where: Base-Base interactions energy: -836.278 where: short stacking energy: -371.867 Base-Backbone interact. energy: -4.083 local terms energy: -395.680081 where: bonds (distance) C4'-P energy: -78.217 bonds (distance) P-C4' energy: -71.544 flat angles C4'-P-C4' energy: -82.755 flat angles P-C4'-P energy: -65.063 tors. eta vs tors. theta energy: -98.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1264.682353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.682353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.682353 (E_RNA) where: Base-Base interactions energy: -902.267 where: short stacking energy: -375.096 Base-Backbone interact. energy: -2.398 local terms energy: -360.017896 where: bonds (distance) C4'-P energy: -65.948 bonds (distance) P-C4' energy: -80.317 flat angles C4'-P-C4' energy: -62.953 flat angles P-C4'-P energy: -50.966 tors. eta vs tors. theta energy: -99.834 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: 7, replica: 8 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1103.689344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.689344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.689344 (E_RNA) where: Base-Base interactions energy: -747.714 where: short stacking energy: -342.011 Base-Backbone interact. energy: 0.761 local terms energy: -356.736200 where: bonds (distance) C4'-P energy: -76.448 bonds (distance) P-C4' energy: -92.128 flat angles C4'-P-C4' energy: -70.415 flat angles P-C4'-P energy: -38.656 tors. eta vs tors. theta energy: -79.089 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: 7 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -890.767627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.767627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.767627 (E_RNA) where: Base-Base interactions energy: -551.345 where: short stacking energy: -268.823 Base-Backbone interact. energy: -1.733 local terms energy: -337.689917 where: bonds (distance) C4'-P energy: -64.614 bonds (distance) P-C4' energy: -75.847 flat angles C4'-P-C4' energy: -78.279 flat angles P-C4'-P energy: -51.113 tors. eta vs tors. theta energy: -67.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -738.033233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.033233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.033233 (E_RNA) where: Base-Base interactions energy: -458.356 where: short stacking energy: -215.352 Base-Backbone interact. energy: -1.463 local terms energy: -278.214775 where: bonds (distance) C4'-P energy: -77.676 bonds (distance) P-C4' energy: -51.759 flat angles C4'-P-C4' energy: -86.664 flat angles P-C4'-P energy: -37.860 tors. eta vs tors. theta energy: -24.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -513.851570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.851570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.851570 (E_RNA) where: Base-Base interactions energy: -286.112 where: short stacking energy: -160.546 Base-Backbone interact. energy: -1.619 local terms energy: -226.120917 where: bonds (distance) C4'-P energy: -69.260 bonds (distance) P-C4' energy: -55.836 flat angles C4'-P-C4' energy: -60.572 flat angles P-C4'-P energy: -28.288 tors. eta vs tors. theta energy: -12.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1500.210816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.210816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.210816 (E_RNA) where: Base-Base interactions energy: -1058.471 where: short stacking energy: -440.513 Base-Backbone interact. energy: -3.712 local terms energy: -438.027002 where: bonds (distance) C4'-P energy: -83.797 bonds (distance) P-C4' energy: -89.633 flat angles C4'-P-C4' energy: -91.569 flat angles P-C4'-P energy: -52.853 tors. eta vs tors. theta energy: -120.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1474.773979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.773979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.773979 (E_RNA) where: Base-Base interactions energy: -1037.838 where: short stacking energy: -460.536 Base-Backbone interact. energy: -0.667 local terms energy: -436.268490 where: bonds (distance) C4'-P energy: -66.182 bonds (distance) P-C4' energy: -82.949 flat angles C4'-P-C4' energy: -97.458 flat angles P-C4'-P energy: -60.620 tors. eta vs tors. theta energy: -129.059 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: 10 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1438.448687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.448687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.448687 (E_RNA) where: Base-Base interactions energy: -987.132 where: short stacking energy: -429.040 Base-Backbone interact. energy: -2.671 local terms energy: -448.645388 where: bonds (distance) C4'-P energy: -81.967 bonds (distance) P-C4' energy: -86.594 flat angles C4'-P-C4' energy: -92.337 flat angles P-C4'-P energy: -60.917 tors. eta vs tors. theta energy: -126.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1344.349883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.349883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.349883 (E_RNA) where: Base-Base interactions energy: -931.912 where: short stacking energy: -428.605 Base-Backbone interact. energy: -2.034 local terms energy: -410.404565 where: bonds (distance) C4'-P energy: -72.304 bonds (distance) P-C4' energy: -77.193 flat angles C4'-P-C4' energy: -87.885 flat angles P-C4'-P energy: -56.210 tors. eta vs tors. theta energy: -116.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1200.891867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.891867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.891867 (E_RNA) where: Base-Base interactions energy: -801.189 where: short stacking energy: -357.228 Base-Backbone interact. energy: -0.793 local terms energy: -398.910207 where: bonds (distance) C4'-P energy: -77.980 bonds (distance) P-C4' energy: -81.599 flat angles C4'-P-C4' energy: -83.652 flat angles P-C4'-P energy: -58.235 tors. eta vs tors. theta energy: -97.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1239.535326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.535326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.535326 (E_RNA) where: Base-Base interactions energy: -867.316 where: short stacking energy: -363.041 Base-Backbone interact. energy: -1.818 local terms energy: -370.401510 where: bonds (distance) C4'-P energy: -71.561 bonds (distance) P-C4' energy: -82.788 flat angles C4'-P-C4' energy: -79.439 flat angles P-C4'-P energy: -47.533 tors. eta vs tors. theta energy: -89.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1110.759124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.759124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.759124 (E_RNA) where: Base-Base interactions energy: -759.189 where: short stacking energy: -355.586 Base-Backbone interact. energy: -2.500 local terms energy: -349.069584 where: bonds (distance) C4'-P energy: -58.079 bonds (distance) P-C4' energy: -63.341 flat angles C4'-P-C4' energy: -78.973 flat angles P-C4'-P energy: -52.584 tors. eta vs tors. theta energy: -96.093 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: 7 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -879.215336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.215336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.215336 (E_RNA) where: Base-Base interactions energy: -575.460 where: short stacking energy: -254.348 Base-Backbone interact. energy: -1.844 local terms energy: -301.911208 where: bonds (distance) C4'-P energy: -61.687 bonds (distance) P-C4' energy: -76.688 flat angles C4'-P-C4' energy: -66.859 flat angles P-C4'-P energy: -43.811 tors. eta vs tors. theta energy: -52.866 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: 5 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -722.640691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.640691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.640691 (E_RNA) where: Base-Base interactions energy: -457.541 where: short stacking energy: -225.256 Base-Backbone interact. energy: -0.494 local terms energy: -264.605025 where: bonds (distance) C4'-P energy: -68.542 bonds (distance) P-C4' energy: -73.459 flat angles C4'-P-C4' energy: -53.413 flat angles P-C4'-P energy: -29.920 tors. eta vs tors. theta energy: -39.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -460.860750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.860750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.860750 (E_RNA) where: Base-Base interactions energy: -222.496 where: short stacking energy: -141.347 Base-Backbone interact. energy: 7.239 local terms energy: -245.604027 where: bonds (distance) C4'-P energy: -64.573 bonds (distance) P-C4' energy: -76.654 flat angles C4'-P-C4' energy: -55.610 flat angles P-C4'-P energy: -39.180 tors. eta vs tors. theta energy: -9.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1492.232538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.232538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.232538 (E_RNA) where: Base-Base interactions energy: -1040.233 where: short stacking energy: -429.775 Base-Backbone interact. energy: 0.392 local terms energy: -452.392233 where: bonds (distance) C4'-P energy: -83.274 bonds (distance) P-C4' energy: -84.223 flat angles C4'-P-C4' energy: -99.329 flat angles P-C4'-P energy: -61.152 tors. eta vs tors. theta energy: -124.414 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: 2, replica: 2 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1507.532699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.532699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.532699 (E_RNA) where: Base-Base interactions energy: -1043.344 where: short stacking energy: -474.509 Base-Backbone interact. energy: -4.973 local terms energy: -459.215657 where: bonds (distance) C4'-P energy: -71.996 bonds (distance) P-C4' energy: -86.764 flat angles C4'-P-C4' energy: -97.641 flat angles P-C4'-P energy: -67.036 tors. eta vs tors. theta energy: -135.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1428.693388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.693388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.693388 (E_RNA) where: Base-Base interactions energy: -991.668 where: short stacking energy: -423.163 Base-Backbone interact. energy: -3.847 local terms energy: -433.179223 where: bonds (distance) C4'-P energy: -64.892 bonds (distance) P-C4' energy: -76.932 flat angles C4'-P-C4' energy: -91.864 flat angles P-C4'-P energy: -63.018 tors. eta vs tors. theta energy: -136.474 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: 6 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1344.345965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.345965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.345965 (E_RNA) where: Base-Base interactions energy: -932.579 where: short stacking energy: -392.108 Base-Backbone interact. energy: -1.198 local terms energy: -410.568986 where: bonds (distance) C4'-P energy: -62.168 bonds (distance) P-C4' energy: -84.761 flat angles C4'-P-C4' energy: -90.360 flat angles P-C4'-P energy: -54.822 tors. eta vs tors. theta energy: -118.458 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: 5, replica: 1 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1249.151478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.151478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.151478 (E_RNA) where: Base-Base interactions energy: -878.368 where: short stacking energy: -364.840 Base-Backbone interact. energy: -2.412 local terms energy: -368.371776 where: bonds (distance) C4'-P energy: -71.927 bonds (distance) P-C4' energy: -71.686 flat angles C4'-P-C4' energy: -81.301 flat angles P-C4'-P energy: -61.275 tors. eta vs tors. theta energy: -82.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1235.795650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.795650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.795650 (E_RNA) where: Base-Base interactions energy: -835.655 where: short stacking energy: -382.729 Base-Backbone interact. energy: -1.262 local terms energy: -398.878129 where: bonds (distance) C4'-P energy: -75.291 bonds (distance) P-C4' energy: -86.399 flat angles C4'-P-C4' energy: -77.001 flat angles P-C4'-P energy: -54.252 tors. eta vs tors. theta energy: -105.934 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: 8 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1055.810848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.810848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.810848 (E_RNA) where: Base-Base interactions energy: -687.240 where: short stacking energy: -327.464 Base-Backbone interact. energy: 1.220 local terms energy: -369.791587 where: bonds (distance) C4'-P energy: -64.987 bonds (distance) P-C4' energy: -74.628 flat angles C4'-P-C4' energy: -79.372 flat angles P-C4'-P energy: -57.829 tors. eta vs tors. theta energy: -92.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -899.906744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.906744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.906744 (E_RNA) where: Base-Base interactions energy: -594.778 where: short stacking energy: -281.755 Base-Backbone interact. energy: 2.191 local terms energy: -307.320278 where: bonds (distance) C4'-P energy: -62.747 bonds (distance) P-C4' energy: -64.218 flat angles C4'-P-C4' energy: -74.969 flat angles P-C4'-P energy: -44.513 tors. eta vs tors. theta energy: -60.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -711.735081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.735081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.735081 (E_RNA) where: Base-Base interactions energy: -436.284 where: short stacking energy: -203.876 Base-Backbone interact. energy: -1.640 local terms energy: -273.810851 where: bonds (distance) C4'-P energy: -69.940 bonds (distance) P-C4' energy: -74.116 flat angles C4'-P-C4' energy: -71.499 flat angles P-C4'-P energy: -36.294 tors. eta vs tors. theta energy: -21.962 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: 4 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -514.054166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.054166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.054166 (E_RNA) where: Base-Base interactions energy: -270.768 where: short stacking energy: -149.637 Base-Backbone interact. energy: 2.446 local terms energy: -245.732702 where: bonds (distance) C4'-P energy: -70.861 bonds (distance) P-C4' energy: -77.239 flat angles C4'-P-C4' energy: -66.216 flat angles P-C4'-P energy: -29.124 tors. eta vs tors. theta energy: -2.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1504.473243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.473243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.473243 (E_RNA) where: Base-Base interactions energy: -1054.806 where: short stacking energy: -446.564 Base-Backbone interact. energy: -2.582 local terms energy: -447.085177 where: bonds (distance) C4'-P energy: -74.505 bonds (distance) P-C4' energy: -90.627 flat angles C4'-P-C4' energy: -96.696 flat angles P-C4'-P energy: -58.769 tors. eta vs tors. theta energy: -126.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1466.781023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.781023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.781023 (E_RNA) where: Base-Base interactions energy: -1015.202 where: short stacking energy: -446.549 Base-Backbone interact. energy: -1.409 local terms energy: -450.169763 where: bonds (distance) C4'-P energy: -78.269 bonds (distance) P-C4' energy: -80.835 flat angles C4'-P-C4' energy: -94.014 flat angles P-C4'-P energy: -66.942 tors. eta vs tors. theta energy: -130.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1414.932649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.932649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.932649 (E_RNA) where: Base-Base interactions energy: -978.582 where: short stacking energy: -414.400 Base-Backbone interact. energy: 0.461 local terms energy: -436.812271 where: bonds (distance) C4'-P energy: -70.216 bonds (distance) P-C4' energy: -85.859 flat angles C4'-P-C4' energy: -94.023 flat angles P-C4'-P energy: -63.335 tors. eta vs tors. theta energy: -123.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1322.377579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.377579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.377579 (E_RNA) where: Base-Base interactions energy: -917.384 where: short stacking energy: -381.695 Base-Backbone interact. energy: -1.589 local terms energy: -403.403813 where: bonds (distance) C4'-P energy: -70.889 bonds (distance) P-C4' energy: -85.833 flat angles C4'-P-C4' energy: -89.167 flat angles P-C4'-P energy: -60.392 tors. eta vs tors. theta energy: -97.122 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: 1 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1285.360519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.360519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.360519 (E_RNA) where: Base-Base interactions energy: -898.106 where: short stacking energy: -369.599 Base-Backbone interact. energy: -1.352 local terms energy: -385.902210 where: bonds (distance) C4'-P energy: -78.414 bonds (distance) P-C4' energy: -84.058 flat angles C4'-P-C4' energy: -72.889 flat angles P-C4'-P energy: -54.434 tors. eta vs tors. theta energy: -96.107 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: 9 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1152.634755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.634755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.634755 (E_RNA) where: Base-Base interactions energy: -784.491 where: short stacking energy: -358.119 Base-Backbone interact. energy: 1.313 local terms energy: -369.457057 where: bonds (distance) C4'-P energy: -72.985 bonds (distance) P-C4' energy: -68.885 flat angles C4'-P-C4' energy: -72.848 flat angles P-C4'-P energy: -61.576 tors. eta vs tors. theta energy: -93.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1070.735771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.735771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.735771 (E_RNA) where: Base-Base interactions energy: -725.930 where: short stacking energy: -316.379 Base-Backbone interact. energy: -1.889 local terms energy: -342.916763 where: bonds (distance) C4'-P energy: -69.642 bonds (distance) P-C4' energy: -56.138 flat angles C4'-P-C4' energy: -77.630 flat angles P-C4'-P energy: -50.928 tors. eta vs tors. theta energy: -88.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -862.195963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.195963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.195963 (E_RNA) where: Base-Base interactions energy: -540.370 where: short stacking energy: -251.544 Base-Backbone interact. energy: 0.139 local terms energy: -321.964943 where: bonds (distance) C4'-P energy: -56.734 bonds (distance) P-C4' energy: -73.958 flat angles C4'-P-C4' energy: -84.410 flat angles P-C4'-P energy: -52.546 tors. eta vs tors. theta energy: -54.316 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: 5 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -759.968051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.968051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.968051 (E_RNA) where: Base-Base interactions energy: -494.449 where: short stacking energy: -205.955 Base-Backbone interact. energy: -1.396 local terms energy: -264.123225 where: bonds (distance) C4'-P energy: -65.259 bonds (distance) P-C4' energy: -61.364 flat angles C4'-P-C4' energy: -68.225 flat angles P-C4'-P energy: -40.898 tors. eta vs tors. theta energy: -28.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -500.247031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.247031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.247031 (E_RNA) where: Base-Base interactions energy: -248.307 where: short stacking energy: -157.719 Base-Backbone interact. energy: 2.015 local terms energy: -253.954855 where: bonds (distance) C4'-P energy: -67.852 bonds (distance) P-C4' energy: -76.588 flat angles C4'-P-C4' energy: -67.307 flat angles P-C4'-P energy: -35.271 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: 3 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1517.879590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.879590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.879590 (E_RNA) where: Base-Base interactions energy: -1072.346 where: short stacking energy: -463.880 Base-Backbone interact. energy: -1.490 local terms energy: -444.043120 where: bonds (distance) C4'-P energy: -72.167 bonds (distance) P-C4' energy: -90.410 flat angles C4'-P-C4' energy: -94.697 flat angles P-C4'-P energy: -65.958 tors. eta vs tors. theta energy: -120.810 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: 2 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1502.061034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.061034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.061034 (E_RNA) where: Base-Base interactions energy: -1034.492 where: short stacking energy: -475.293 Base-Backbone interact. energy: -3.288 local terms energy: -464.281193 where: bonds (distance) C4'-P energy: -83.151 bonds (distance) P-C4' energy: -92.844 flat angles C4'-P-C4' energy: -92.606 flat angles P-C4'-P energy: -62.296 tors. eta vs tors. theta energy: -133.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1405.077617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.077617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.077617 (E_RNA) where: Base-Base interactions energy: -970.399 where: short stacking energy: -425.524 Base-Backbone interact. energy: -0.396 local terms energy: -434.283204 where: bonds (distance) C4'-P energy: -84.458 bonds (distance) P-C4' energy: -73.688 flat angles C4'-P-C4' energy: -100.546 flat angles P-C4'-P energy: -53.923 tors. eta vs tors. theta energy: -121.669 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: 4, replica: 6 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1336.828689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.828689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.828689 (E_RNA) where: Base-Base interactions energy: -935.081 where: short stacking energy: -430.491 Base-Backbone interact. energy: 0.216 local terms energy: -401.963548 where: bonds (distance) C4'-P energy: -68.480 bonds (distance) P-C4' energy: -78.844 flat angles C4'-P-C4' energy: -90.899 flat angles P-C4'-P energy: -54.544 tors. eta vs tors. theta energy: -109.196 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: 5, replica: 1 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1302.276580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.276580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.276580 (E_RNA) where: Base-Base interactions energy: -928.786 where: short stacking energy: -378.011 Base-Backbone interact. energy: 1.180 local terms energy: -374.670624 where: bonds (distance) C4'-P energy: -55.896 bonds (distance) P-C4' energy: -81.577 flat angles C4'-P-C4' energy: -87.236 flat angles P-C4'-P energy: -55.927 tors. eta vs tors. theta energy: -94.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1173.432064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.432064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.432064 (E_RNA) where: Base-Base interactions energy: -819.995 where: short stacking energy: -354.916 Base-Backbone interact. energy: -2.219 local terms energy: -351.218416 where: bonds (distance) C4'-P energy: -67.234 bonds (distance) P-C4' energy: -65.377 flat angles C4'-P-C4' energy: -80.801 flat angles P-C4'-P energy: -56.240 tors. eta vs tors. theta energy: -81.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1050.781821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.781821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.781821 (E_RNA) where: Base-Base interactions energy: -695.150 where: short stacking energy: -340.275 Base-Backbone interact. energy: 2.781 local terms energy: -358.412528 where: bonds (distance) C4'-P energy: -61.614 bonds (distance) P-C4' energy: -76.321 flat angles C4'-P-C4' energy: -87.566 flat angles P-C4'-P energy: -46.737 tors. eta vs tors. theta energy: -86.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -951.574241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.574241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.574241 (E_RNA) where: Base-Base interactions energy: -642.695 where: short stacking energy: -310.789 Base-Backbone interact. energy: -0.491 local terms energy: -308.388740 where: bonds (distance) C4'-P energy: -69.369 bonds (distance) P-C4' energy: -70.399 flat angles C4'-P-C4' energy: -68.489 flat angles P-C4'-P energy: -36.784 tors. eta vs tors. theta energy: -63.348 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: 5 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -806.542138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.542138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.542138 (E_RNA) where: Base-Base interactions energy: -540.498 where: short stacking energy: -232.351 Base-Backbone interact. energy: 2.071 local terms energy: -268.115870 where: bonds (distance) C4'-P energy: -70.404 bonds (distance) P-C4' energy: -74.360 flat angles C4'-P-C4' energy: -68.140 flat angles P-C4'-P energy: -27.150 tors. eta vs tors. theta energy: -28.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -523.433977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.433977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.433977 (E_RNA) where: Base-Base interactions energy: -290.567 where: short stacking energy: -136.611 Base-Backbone interact. energy: -4.192 local terms energy: -228.674352 where: bonds (distance) C4'-P energy: -75.720 bonds (distance) P-C4' energy: -61.105 flat angles C4'-P-C4' energy: -58.286 flat angles P-C4'-P energy: -26.295 tors. eta vs tors. theta energy: -7.268 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: 3 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1536.607235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.607235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.607235 (E_RNA) where: Base-Base interactions energy: -1085.892 where: short stacking energy: -456.476 Base-Backbone interact. energy: 1.548 local terms energy: -452.262650 where: bonds (distance) C4'-P energy: -85.046 bonds (distance) P-C4' energy: -75.699 flat angles C4'-P-C4' energy: -96.614 flat angles P-C4'-P energy: -68.792 tors. eta vs tors. theta energy: -126.112 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: 2, replica: 2 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1502.381903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.381903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.381903 (E_RNA) where: Base-Base interactions energy: -1037.901 where: short stacking energy: -466.778 Base-Backbone interact. energy: -2.303 local terms energy: -462.177705 where: bonds (distance) C4'-P energy: -78.129 bonds (distance) P-C4' energy: -89.593 flat angles C4'-P-C4' energy: -94.440 flat angles P-C4'-P energy: -67.360 tors. eta vs tors. theta energy: -132.655 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: 10 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -1416.161214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.161214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.161214 (E_RNA) where: Base-Base interactions energy: -970.662 where: short stacking energy: -431.916 Base-Backbone interact. energy: -1.095 local terms energy: -444.404796 where: bonds (distance) C4'-P energy: -84.023 bonds (distance) P-C4' energy: -80.381 flat angles C4'-P-C4' energy: -90.449 flat angles P-C4'-P energy: -65.644 tors. eta vs tors. theta energy: -123.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1363.569126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.569126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.569126 (E_RNA) where: Base-Base interactions energy: -945.796 where: short stacking energy: -415.802 Base-Backbone interact. energy: -1.123 local terms energy: -416.649813 where: bonds (distance) C4'-P energy: -74.903 bonds (distance) P-C4' energy: -78.052 flat angles C4'-P-C4' energy: -88.574 flat angles P-C4'-P energy: -62.651 tors. eta vs tors. theta energy: -112.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1279.378906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.378906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.378906 (E_RNA) where: Base-Base interactions energy: -891.797 where: short stacking energy: -360.434 Base-Backbone interact. energy: -1.213 local terms energy: -386.368666 where: bonds (distance) C4'-P energy: -74.592 bonds (distance) P-C4' energy: -72.054 flat angles C4'-P-C4' energy: -92.915 flat angles P-C4'-P energy: -52.100 tors. eta vs tors. theta energy: -94.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1161.861428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.861428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.861428 (E_RNA) where: Base-Base interactions energy: -783.617 where: short stacking energy: -354.713 Base-Backbone interact. energy: -1.076 local terms energy: -377.167768 where: bonds (distance) C4'-P energy: -75.736 bonds (distance) P-C4' energy: -68.582 flat angles C4'-P-C4' energy: -89.340 flat angles P-C4'-P energy: -49.316 tors. eta vs tors. theta energy: -94.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1012.041098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.041098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.041098 (E_RNA) where: Base-Base interactions energy: -657.253 where: short stacking energy: -296.213 Base-Backbone interact. energy: -3.576 local terms energy: -351.211942 where: bonds (distance) C4'-P energy: -76.739 bonds (distance) P-C4' energy: -83.205 flat angles C4'-P-C4' energy: -80.538 flat angles P-C4'-P energy: -38.149 tors. eta vs tors. theta energy: -72.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -924.207881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.207881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.207881 (E_RNA) where: Base-Base interactions energy: -613.078 where: short stacking energy: -278.700 Base-Backbone interact. energy: -0.795 local terms energy: -310.335380 where: bonds (distance) C4'-P energy: -60.173 bonds (distance) P-C4' energy: -69.364 flat angles C4'-P-C4' energy: -71.157 flat angles P-C4'-P energy: -46.992 tors. eta vs tors. theta energy: -62.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -831.612102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.612102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.612102 (E_RNA) where: Base-Base interactions energy: -560.018 where: short stacking energy: -264.610 Base-Backbone interact. energy: -3.752 local terms energy: -267.842568 where: bonds (distance) C4'-P energy: -52.389 bonds (distance) P-C4' energy: -68.795 flat angles C4'-P-C4' energy: -62.150 flat angles P-C4'-P energy: -33.203 tors. eta vs tors. theta energy: -51.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -465.484155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.484155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.484155 (E_RNA) where: Base-Base interactions energy: -220.999 where: short stacking energy: -145.773 Base-Backbone interact. energy: 0.079 local terms energy: -244.564238 where: bonds (distance) C4'-P energy: -73.925 bonds (distance) P-C4' energy: -67.792 flat angles C4'-P-C4' energy: -59.135 flat angles P-C4'-P energy: -33.623 tors. eta vs tors. theta energy: -10.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1527.844348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.844348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.844348 (E_RNA) where: Base-Base interactions energy: -1051.417 where: short stacking energy: -445.531 Base-Backbone interact. energy: -3.024 local terms energy: -473.403957 where: bonds (distance) C4'-P energy: -95.356 bonds (distance) P-C4' energy: -84.881 flat angles C4'-P-C4' energy: -102.584 flat angles P-C4'-P energy: -70.366 tors. eta vs tors. theta energy: -120.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1507.466880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.466880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.466880 (E_RNA) where: Base-Base interactions energy: -1061.371 where: short stacking energy: -468.771 Base-Backbone interact. energy: -1.373 local terms energy: -444.723288 where: bonds (distance) C4'-P energy: -86.563 bonds (distance) P-C4' energy: -71.712 flat angles C4'-P-C4' energy: -94.121 flat angles P-C4'-P energy: -64.095 tors. eta vs tors. theta energy: -128.232 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: 206 Temperature: 1.000000 Total energy: -1414.833423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.833423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.833423 (E_RNA) where: Base-Base interactions energy: -967.499 where: short stacking energy: -438.749 Base-Backbone interact. energy: -1.707 local terms energy: -445.628260 where: bonds (distance) C4'-P energy: -83.259 bonds (distance) P-C4' energy: -86.153 flat angles C4'-P-C4' energy: -91.237 flat angles P-C4'-P energy: -59.660 tors. eta vs tors. theta energy: -125.320 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: 10 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1372.134739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.134739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.134739 (E_RNA) where: Base-Base interactions energy: -932.962 where: short stacking energy: -417.403 Base-Backbone interact. energy: -0.942 local terms energy: -438.231132 where: bonds (distance) C4'-P energy: -64.839 bonds (distance) P-C4' energy: -85.913 flat angles C4'-P-C4' energy: -97.089 flat angles P-C4'-P energy: -64.078 tors. eta vs tors. theta energy: -126.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1298.865640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.865640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.865640 (E_RNA) where: Base-Base interactions energy: -913.618 where: short stacking energy: -366.620 Base-Backbone interact. energy: -0.930 local terms energy: -384.317427 where: bonds (distance) C4'-P energy: -69.979 bonds (distance) P-C4' energy: -69.772 flat angles C4'-P-C4' energy: -85.637 flat angles P-C4'-P energy: -60.377 tors. eta vs tors. theta energy: -98.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1129.829782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.829782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.829782 (E_RNA) where: Base-Base interactions energy: -768.223 where: short stacking energy: -357.941 Base-Backbone interact. energy: -1.450 local terms energy: -360.156570 where: bonds (distance) C4'-P energy: -70.944 bonds (distance) P-C4' energy: -63.402 flat angles C4'-P-C4' energy: -81.132 flat angles P-C4'-P energy: -52.911 tors. eta vs tors. theta energy: -91.767 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: 8 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1030.903697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.903697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.903697 (E_RNA) where: Base-Base interactions energy: -707.630 where: short stacking energy: -313.216 Base-Backbone interact. energy: -0.955 local terms energy: -322.319565 where: bonds (distance) C4'-P energy: -50.784 bonds (distance) P-C4' energy: -72.763 flat angles C4'-P-C4' energy: -80.300 flat angles P-C4'-P energy: -42.950 tors. eta vs tors. theta energy: -75.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -880.474844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.474844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.474844 (E_RNA) where: Base-Base interactions energy: -573.472 where: short stacking energy: -249.593 Base-Backbone interact. energy: 5.295 local terms energy: -312.297882 where: bonds (distance) C4'-P energy: -68.796 bonds (distance) P-C4' energy: -73.489 flat angles C4'-P-C4' energy: -77.226 flat angles P-C4'-P energy: -44.791 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: 9, replica: 5 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -908.535978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.535978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.535978 (E_RNA) where: Base-Base interactions energy: -609.873 where: short stacking energy: -260.282 Base-Backbone interact. energy: -3.453 local terms energy: -295.210513 where: bonds (distance) C4'-P energy: -62.075 bonds (distance) P-C4' energy: -73.451 flat angles C4'-P-C4' energy: -60.065 flat angles P-C4'-P energy: -46.928 tors. eta vs tors. theta energy: -52.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -462.863708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.863708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.863708 (E_RNA) where: Base-Base interactions energy: -216.973 where: short stacking energy: -130.346 Base-Backbone interact. energy: 0.647 local terms energy: -246.538071 where: bonds (distance) C4'-P energy: -68.500 bonds (distance) P-C4' energy: -81.770 flat angles C4'-P-C4' energy: -70.111 flat angles P-C4'-P energy: -30.375 tors. eta vs tors. theta energy: 4.218 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: 3 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1518.280189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.280189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.280189 (E_RNA) where: Base-Base interactions energy: -1069.964 where: short stacking energy: -447.766 Base-Backbone interact. energy: 1.818 local terms energy: -450.134016 where: bonds (distance) C4'-P energy: -83.686 bonds (distance) P-C4' energy: -91.009 flat angles C4'-P-C4' energy: -92.247 flat angles P-C4'-P energy: -59.128 tors. eta vs tors. theta energy: -124.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1500.207035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.207035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.207035 (E_RNA) where: Base-Base interactions energy: -1045.230 where: short stacking energy: -460.540 Base-Backbone interact. energy: -2.874 local terms energy: -452.103378 where: bonds (distance) C4'-P energy: -83.759 bonds (distance) P-C4' energy: -80.998 flat angles C4'-P-C4' energy: -94.076 flat angles P-C4'-P energy: -68.951 tors. eta vs tors. theta energy: -124.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1379.489117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.489117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.489117 (E_RNA) where: Base-Base interactions energy: -944.229 where: short stacking energy: -407.775 Base-Backbone interact. energy: -0.380 local terms energy: -434.880928 where: bonds (distance) C4'-P energy: -75.406 bonds (distance) P-C4' energy: -75.021 flat angles C4'-P-C4' energy: -95.041 flat angles P-C4'-P energy: -66.563 tors. eta vs tors. theta energy: -122.850 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: 1 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1337.071794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.071794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.071794 (E_RNA) where: Base-Base interactions energy: -943.166 where: short stacking energy: -385.255 Base-Backbone interact. energy: -2.409 local terms energy: -391.496680 where: bonds (distance) C4'-P energy: -77.776 bonds (distance) P-C4' energy: -69.453 flat angles C4'-P-C4' energy: -85.533 flat angles P-C4'-P energy: -55.032 tors. eta vs tors. theta energy: -103.703 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: 5, replica: 10 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1328.639619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.639619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.639619 (E_RNA) where: Base-Base interactions energy: -910.421 where: short stacking energy: -385.236 Base-Backbone interact. energy: 0.456 local terms energy: -418.674478 where: bonds (distance) C4'-P energy: -68.754 bonds (distance) P-C4' energy: -84.057 flat angles C4'-P-C4' energy: -93.331 flat angles P-C4'-P energy: -53.417 tors. eta vs tors. theta energy: -119.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1140.046696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.046696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.046696 (E_RNA) where: Base-Base interactions energy: -768.117 where: short stacking energy: -316.911 Base-Backbone interact. energy: -1.712 local terms energy: -370.217561 where: bonds (distance) C4'-P energy: -72.303 bonds (distance) P-C4' energy: -78.568 flat angles C4'-P-C4' energy: -83.175 flat angles P-C4'-P energy: -57.407 tors. eta vs tors. theta energy: -78.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1068.176874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.176874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.176874 (E_RNA) where: Base-Base interactions energy: -717.544 where: short stacking energy: -320.875 Base-Backbone interact. energy: 0.479 local terms energy: -351.111605 where: bonds (distance) C4'-P energy: -64.234 bonds (distance) P-C4' energy: -76.737 flat angles C4'-P-C4' energy: -82.145 flat angles P-C4'-P energy: -46.676 tors. eta vs tors. theta energy: -81.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -879.823714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.823714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.823714 (E_RNA) where: Base-Base interactions energy: -579.135 where: short stacking energy: -255.525 Base-Backbone interact. energy: 2.908 local terms energy: -303.596830 where: bonds (distance) C4'-P energy: -57.110 bonds (distance) P-C4' energy: -70.899 flat angles C4'-P-C4' energy: -82.205 flat angles P-C4'-P energy: -42.400 tors. eta vs tors. theta energy: -50.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -873.378184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.378184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.378184 (E_RNA) where: Base-Base interactions energy: -568.801 where: short stacking energy: -252.265 Base-Backbone interact. energy: -0.873 local terms energy: -303.704622 where: bonds (distance) C4'-P energy: -67.956 bonds (distance) P-C4' energy: -74.490 flat angles C4'-P-C4' energy: -73.147 flat angles P-C4'-P energy: -40.384 tors. eta vs tors. theta energy: -47.728 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: 4 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -480.013682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.013682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.013682 (E_RNA) where: Base-Base interactions energy: -261.135 where: short stacking energy: -128.657 Base-Backbone interact. energy: -1.829 local terms energy: -217.048782 where: bonds (distance) C4'-P energy: -69.233 bonds (distance) P-C4' energy: -57.665 flat angles C4'-P-C4' energy: -47.967 flat angles P-C4'-P energy: -44.285 tors. eta vs tors. theta energy: 2.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1514.325336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.325336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.325336 (E_RNA) where: Base-Base interactions energy: -1058.485 where: short stacking energy: -457.324 Base-Backbone interact. energy: -1.692 local terms energy: -454.148076 where: bonds (distance) C4'-P energy: -87.010 bonds (distance) P-C4' energy: -79.710 flat angles C4'-P-C4' energy: -97.584 flat angles P-C4'-P energy: -64.642 tors. eta vs tors. theta energy: -125.201 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: 2, replica: 2 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1498.728577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.728577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.728577 (E_RNA) where: Base-Base interactions energy: -1039.465 where: short stacking energy: -456.534 Base-Backbone interact. energy: 0.492 local terms energy: -459.755420 where: bonds (distance) C4'-P energy: -78.697 bonds (distance) P-C4' energy: -86.393 flat angles C4'-P-C4' energy: -98.153 flat angles P-C4'-P energy: -66.250 tors. eta vs tors. theta energy: -130.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1388.948084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.948084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.948084 (E_RNA) where: Base-Base interactions energy: -975.910 where: short stacking energy: -415.576 Base-Backbone interact. energy: 0.168 local terms energy: -413.205308 where: bonds (distance) C4'-P energy: -80.255 bonds (distance) P-C4' energy: -69.636 flat angles C4'-P-C4' energy: -93.070 flat angles P-C4'-P energy: -68.606 tors. eta vs tors. theta energy: -101.640 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: 6 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1348.281369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.281369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.281369 (E_RNA) where: Base-Base interactions energy: -945.915 where: short stacking energy: -403.502 Base-Backbone interact. energy: -1.124 local terms energy: -401.242323 where: bonds (distance) C4'-P energy: -78.360 bonds (distance) P-C4' energy: -74.648 flat angles C4'-P-C4' energy: -80.414 flat angles P-C4'-P energy: -58.587 tors. eta vs tors. theta energy: -109.234 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: 10 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1316.661547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.661547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.661547 (E_RNA) where: Base-Base interactions energy: -918.694 where: short stacking energy: -373.319 Base-Backbone interact. energy: -1.209 local terms energy: -396.758383 where: bonds (distance) C4'-P energy: -66.602 bonds (distance) P-C4' energy: -71.082 flat angles C4'-P-C4' energy: -94.055 flat angles P-C4'-P energy: -51.413 tors. eta vs tors. theta energy: -113.606 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: 9 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1154.741053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.741053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.741053 (E_RNA) where: Base-Base interactions energy: -785.259 where: short stacking energy: -343.474 Base-Backbone interact. energy: -1.842 local terms energy: -367.639490 where: bonds (distance) C4'-P energy: -84.880 bonds (distance) P-C4' energy: -69.565 flat angles C4'-P-C4' energy: -77.615 flat angles P-C4'-P energy: -49.375 tors. eta vs tors. theta energy: -86.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1127.990242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.990242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.990242 (E_RNA) where: Base-Base interactions energy: -766.731 where: short stacking energy: -343.975 Base-Backbone interact. energy: -0.858 local terms energy: -360.401521 where: bonds (distance) C4'-P energy: -74.005 bonds (distance) P-C4' energy: -81.073 flat angles C4'-P-C4' energy: -65.598 flat angles P-C4'-P energy: -48.133 tors. eta vs tors. theta energy: -91.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -932.994608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.994608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.994608 (E_RNA) where: Base-Base interactions energy: -616.439 where: short stacking energy: -255.850 Base-Backbone interact. energy: 2.800 local terms energy: -319.355722 where: bonds (distance) C4'-P energy: -60.427 bonds (distance) P-C4' energy: -75.606 flat angles C4'-P-C4' energy: -70.157 flat angles P-C4'-P energy: -48.061 tors. eta vs tors. theta energy: -65.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -868.175185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.175185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.175185 (E_RNA) where: Base-Base interactions energy: -565.613 where: short stacking energy: -250.328 Base-Backbone interact. energy: 0.126 local terms energy: -302.688505 where: bonds (distance) C4'-P energy: -60.561 bonds (distance) P-C4' energy: -60.191 flat angles C4'-P-C4' energy: -91.645 flat angles P-C4'-P energy: -50.116 tors. eta vs tors. theta energy: -40.175 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: 4 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -533.473993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.473993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.473993 (E_RNA) where: Base-Base interactions energy: -295.820 where: short stacking energy: -169.237 Base-Backbone interact. energy: -1.253 local terms energy: -236.401245 where: bonds (distance) C4'-P energy: -59.902 bonds (distance) P-C4' energy: -66.721 flat angles C4'-P-C4' energy: -58.654 flat angles P-C4'-P energy: -43.057 tors. eta vs tors. theta energy: -8.067 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: 3 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1539.304986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.304986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.304986 (E_RNA) where: Base-Base interactions energy: -1082.399 where: short stacking energy: -453.531 Base-Backbone interact. energy: 0.436 local terms energy: -457.342170 where: bonds (distance) C4'-P energy: -84.226 bonds (distance) P-C4' energy: -91.424 flat angles C4'-P-C4' energy: -91.695 flat angles P-C4'-P energy: -70.830 tors. eta vs tors. theta energy: -119.167 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: 2 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1507.045637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.045637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.045637 (E_RNA) where: Base-Base interactions energy: -1050.335 where: short stacking energy: -455.370 Base-Backbone interact. energy: -1.104 local terms energy: -455.606598 where: bonds (distance) C4'-P energy: -81.695 bonds (distance) P-C4' energy: -81.300 flat angles C4'-P-C4' energy: -92.723 flat angles P-C4'-P energy: -64.598 tors. eta vs tors. theta energy: -135.291 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: 1 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1396.531282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.531282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.531282 (E_RNA) where: Base-Base interactions energy: -1002.399 where: short stacking energy: -413.405 Base-Backbone interact. energy: -4.465 local terms energy: -389.666985 where: bonds (distance) C4'-P energy: -68.913 bonds (distance) P-C4' energy: -84.130 flat angles C4'-P-C4' energy: -83.316 flat angles P-C4'-P energy: -55.229 tors. eta vs tors. theta energy: -98.079 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: 6 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1339.334300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.334300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.334300 (E_RNA) where: Base-Base interactions energy: -934.217 where: short stacking energy: -391.381 Base-Backbone interact. energy: -2.770 local terms energy: -402.347714 where: bonds (distance) C4'-P energy: -63.739 bonds (distance) P-C4' energy: -86.543 flat angles C4'-P-C4' energy: -93.844 flat angles P-C4'-P energy: -46.621 tors. eta vs tors. theta energy: -111.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1282.443890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.443890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.443890 (E_RNA) where: Base-Base interactions energy: -872.339 where: short stacking energy: -381.760 Base-Backbone interact. energy: -0.407 local terms energy: -409.697690 where: bonds (distance) C4'-P energy: -70.535 bonds (distance) P-C4' energy: -78.101 flat angles C4'-P-C4' energy: -82.855 flat angles P-C4'-P energy: -64.688 tors. eta vs tors. theta energy: -113.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1137.317470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.317470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.317470 (E_RNA) where: Base-Base interactions energy: -776.358 where: short stacking energy: -344.786 Base-Backbone interact. energy: 0.863 local terms energy: -361.822929 where: bonds (distance) C4'-P energy: -62.214 bonds (distance) P-C4' energy: -71.247 flat angles C4'-P-C4' energy: -85.528 flat angles P-C4'-P energy: -47.981 tors. eta vs tors. theta energy: -94.853 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: 8 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1097.560681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.560681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.560681 (E_RNA) where: Base-Base interactions energy: -738.360 where: short stacking energy: -322.949 Base-Backbone interact. energy: 4.355 local terms energy: -363.554987 where: bonds (distance) C4'-P energy: -68.758 bonds (distance) P-C4' energy: -80.163 flat angles C4'-P-C4' energy: -71.463 flat angles P-C4'-P energy: -58.338 tors. eta vs tors. theta energy: -84.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -951.120518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.120518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.120518 (E_RNA) where: Base-Base interactions energy: -622.575 where: short stacking energy: -295.586 Base-Backbone interact. energy: -0.561 local terms energy: -327.984721 where: bonds (distance) C4'-P energy: -75.574 bonds (distance) P-C4' energy: -75.990 flat angles C4'-P-C4' energy: -71.655 flat angles P-C4'-P energy: -35.174 tors. eta vs tors. theta energy: -69.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -874.365685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.365685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.365685 (E_RNA) where: Base-Base interactions energy: -573.832 where: short stacking energy: -263.233 Base-Backbone interact. energy: -1.882 local terms energy: -298.651503 where: bonds (distance) C4'-P energy: -72.205 bonds (distance) P-C4' energy: -67.290 flat angles C4'-P-C4' energy: -70.099 flat angles P-C4'-P energy: -40.896 tors. eta vs tors. theta energy: -48.162 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: 4 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -532.190907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.190907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.190907 (E_RNA) where: Base-Base interactions energy: -285.445 where: short stacking energy: -145.802 Base-Backbone interact. energy: 5.649 local terms energy: -252.394542 where: bonds (distance) C4'-P energy: -75.404 bonds (distance) P-C4' energy: -78.964 flat angles C4'-P-C4' energy: -62.336 flat angles P-C4'-P energy: -37.078 tors. eta vs tors. theta energy: 1.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1521.096818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.096818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.096818 (E_RNA) where: Base-Base interactions energy: -1067.881 where: short stacking energy: -443.020 Base-Backbone interact. energy: -2.472 local terms energy: -450.743850 where: bonds (distance) C4'-P energy: -93.247 bonds (distance) P-C4' energy: -81.723 flat angles C4'-P-C4' energy: -93.887 flat angles P-C4'-P energy: -65.786 tors. eta vs tors. theta energy: -116.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1514.760923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.760923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.760923 (E_RNA) where: Base-Base interactions energy: -1068.434 where: short stacking energy: -471.564 Base-Backbone interact. energy: -0.256 local terms energy: -446.071142 where: bonds (distance) C4'-P energy: -79.473 bonds (distance) P-C4' energy: -87.338 flat angles C4'-P-C4' energy: -96.791 flat angles P-C4'-P energy: -55.445 tors. eta vs tors. theta energy: -127.023 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: 210 Temperature: 1.000000 Total energy: -1381.325203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.325203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.325203 (E_RNA) where: Base-Base interactions energy: -973.996 where: short stacking energy: -396.947 Base-Backbone interact. energy: -4.269 local terms energy: -403.060161 where: bonds (distance) C4'-P energy: -83.458 bonds (distance) P-C4' energy: -66.488 flat angles C4'-P-C4' energy: -87.790 flat angles P-C4'-P energy: -58.733 tors. eta vs tors. theta energy: -106.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1344.151521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.151521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.151521 (E_RNA) where: Base-Base interactions energy: -930.010 where: short stacking energy: -395.352 Base-Backbone interact. energy: 0.492 local terms energy: -414.633668 where: bonds (distance) C4'-P energy: -78.792 bonds (distance) P-C4' energy: -76.888 flat angles C4'-P-C4' energy: -92.934 flat angles P-C4'-P energy: -52.090 tors. eta vs tors. theta energy: -113.929 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: 5, replica: 10 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -1261.885130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.885130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.885130 (E_RNA) where: Base-Base interactions energy: -882.334 where: short stacking energy: -371.050 Base-Backbone interact. energy: -1.106 local terms energy: -378.444842 where: bonds (distance) C4'-P energy: -73.023 bonds (distance) P-C4' energy: -67.415 flat angles C4'-P-C4' energy: -84.424 flat angles P-C4'-P energy: -55.316 tors. eta vs tors. theta energy: -98.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1109.798384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.798384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.798384 (E_RNA) where: Base-Base interactions energy: -742.961 where: short stacking energy: -336.125 Base-Backbone interact. energy: 0.508 local terms energy: -367.345664 where: bonds (distance) C4'-P energy: -76.729 bonds (distance) P-C4' energy: -71.087 flat angles C4'-P-C4' energy: -74.650 flat angles P-C4'-P energy: -49.012 tors. eta vs tors. theta energy: -95.868 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: 8 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1139.034483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.034483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.034483 (E_RNA) where: Base-Base interactions energy: -776.578 where: short stacking energy: -325.808 Base-Backbone interact. energy: -0.298 local terms energy: -362.158473 where: bonds (distance) C4'-P energy: -66.039 bonds (distance) P-C4' energy: -84.082 flat angles C4'-P-C4' energy: -81.636 flat angles P-C4'-P energy: -52.719 tors. eta vs tors. theta energy: -77.682 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: 7 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -926.339000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.339000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.339000 (E_RNA) where: Base-Base interactions energy: -607.621 where: short stacking energy: -272.290 Base-Backbone interact. energy: -5.007 local terms energy: -313.710358 where: bonds (distance) C4'-P energy: -53.872 bonds (distance) P-C4' energy: -75.541 flat angles C4'-P-C4' energy: -78.253 flat angles P-C4'-P energy: -46.917 tors. eta vs tors. theta energy: -59.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -862.446704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.446704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.446704 (E_RNA) where: Base-Base interactions energy: -569.703 where: short stacking energy: -254.485 Base-Backbone interact. energy: -1.694 local terms energy: -291.049025 where: bonds (distance) C4'-P energy: -70.588 bonds (distance) P-C4' energy: -64.608 flat angles C4'-P-C4' energy: -79.642 flat angles P-C4'-P energy: -24.077 tors. eta vs tors. theta energy: -52.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -538.291800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.291800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.291800 (E_RNA) where: Base-Base interactions energy: -297.416 where: short stacking energy: -156.757 Base-Backbone interact. energy: -0.111 local terms energy: -240.764788 where: bonds (distance) C4'-P energy: -54.054 bonds (distance) P-C4' energy: -73.186 flat angles C4'-P-C4' energy: -69.889 flat angles P-C4'-P energy: -37.333 tors. eta vs tors. theta energy: -6.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1518.652211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.652211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.652211 (E_RNA) where: Base-Base interactions energy: -1060.835 where: short stacking energy: -449.638 Base-Backbone interact. energy: -2.893 local terms energy: -454.924569 where: bonds (distance) C4'-P energy: -84.312 bonds (distance) P-C4' energy: -84.693 flat angles C4'-P-C4' energy: -97.694 flat angles P-C4'-P energy: -62.674 tors. eta vs tors. theta energy: -125.552 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: 2 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -1493.930861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.930861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.930861 (E_RNA) where: Base-Base interactions energy: -1040.471 where: short stacking energy: -442.567 Base-Backbone interact. energy: -1.682 local terms energy: -451.778291 where: bonds (distance) C4'-P energy: -80.720 bonds (distance) P-C4' energy: -84.108 flat angles C4'-P-C4' energy: -85.859 flat angles P-C4'-P energy: -63.261 tors. eta vs tors. theta energy: -137.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1404.675927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.675927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.675927 (E_RNA) where: Base-Base interactions energy: -998.281 where: short stacking energy: -403.483 Base-Backbone interact. energy: -0.708 local terms energy: -405.686129 where: bonds (distance) C4'-P energy: -77.784 bonds (distance) P-C4' energy: -74.469 flat angles C4'-P-C4' energy: -90.060 flat angles P-C4'-P energy: -64.693 tors. eta vs tors. theta energy: -98.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1317.792660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.792660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.792660 (E_RNA) where: Base-Base interactions energy: -896.750 where: short stacking energy: -412.298 Base-Backbone interact. energy: -1.944 local terms energy: -419.097942 where: bonds (distance) C4'-P energy: -80.136 bonds (distance) P-C4' energy: -78.842 flat angles C4'-P-C4' energy: -94.087 flat angles P-C4'-P energy: -64.892 tors. eta vs tors. theta energy: -101.141 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: 10 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -1288.348900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.348900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.348900 (E_RNA) where: Base-Base interactions energy: -884.276 where: short stacking energy: -396.506 Base-Backbone interact. energy: 1.136 local terms energy: -405.208741 where: bonds (distance) C4'-P energy: -72.445 bonds (distance) P-C4' energy: -78.683 flat angles C4'-P-C4' energy: -88.042 flat angles P-C4'-P energy: -49.225 tors. eta vs tors. theta energy: -116.814 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: 9 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1108.635031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.635031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.635031 (E_RNA) where: Base-Base interactions energy: -747.333 where: short stacking energy: -350.146 Base-Backbone interact. energy: 0.422 local terms energy: -361.723841 where: bonds (distance) C4'-P energy: -68.145 bonds (distance) P-C4' energy: -66.440 flat angles C4'-P-C4' energy: -85.748 flat angles P-C4'-P energy: -54.216 tors. eta vs tors. theta energy: -87.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1160.259457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.259457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.259457 (E_RNA) where: Base-Base interactions energy: -785.895 where: short stacking energy: -354.489 Base-Backbone interact. energy: -0.518 local terms energy: -373.845529 where: bonds (distance) C4'-P energy: -69.290 bonds (distance) P-C4' energy: -75.707 flat angles C4'-P-C4' energy: -85.788 flat angles P-C4'-P energy: -47.714 tors. eta vs tors. theta energy: -95.346 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: 211 Temperature: 1.250000 Total energy: -912.638671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.638671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.638671 (E_RNA) where: Base-Base interactions energy: -591.061 where: short stacking energy: -265.541 Base-Backbone interact. energy: -0.905 local terms energy: -320.672425 where: bonds (distance) C4'-P energy: -70.994 bonds (distance) P-C4' energy: -64.193 flat angles C4'-P-C4' energy: -78.742 flat angles P-C4'-P energy: -52.994 tors. eta vs tors. theta energy: -53.750 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: 5 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -854.176226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.176226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.176226 (E_RNA) where: Base-Base interactions energy: -555.327 where: short stacking energy: -248.701 Base-Backbone interact. energy: -1.214 local terms energy: -297.635641 where: bonds (distance) C4'-P energy: -47.570 bonds (distance) P-C4' energy: -72.922 flat angles C4'-P-C4' energy: -78.238 flat angles P-C4'-P energy: -48.897 tors. eta vs tors. theta energy: -50.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -621.555550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.555550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.555550 (E_RNA) where: Base-Base interactions energy: -372.556 where: short stacking energy: -191.433 Base-Backbone interact. energy: 7.020 local terms energy: -256.019227 where: bonds (distance) C4'-P energy: -51.468 bonds (distance) P-C4' energy: -75.884 flat angles C4'-P-C4' energy: -59.183 flat angles P-C4'-P energy: -41.846 tors. eta vs tors. theta energy: -27.638 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: 3 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1503.149609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.149609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.149609 (E_RNA) where: Base-Base interactions energy: -1036.779 where: short stacking energy: -451.460 Base-Backbone interact. energy: -0.720 local terms energy: -465.650116 where: bonds (distance) C4'-P energy: -86.954 bonds (distance) P-C4' energy: -87.173 flat angles C4'-P-C4' energy: -91.396 flat angles P-C4'-P energy: -72.064 tors. eta vs tors. theta energy: -128.063 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: 2, replica: 2 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1477.272124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.272124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.272124 (E_RNA) where: Base-Base interactions energy: -1029.904 where: short stacking energy: -456.932 Base-Backbone interact. energy: -1.767 local terms energy: -445.601918 where: bonds (distance) C4'-P energy: -78.517 bonds (distance) P-C4' energy: -83.844 flat angles C4'-P-C4' energy: -96.056 flat angles P-C4'-P energy: -58.325 tors. eta vs tors. theta energy: -128.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1401.400792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.400792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.400792 (E_RNA) where: Base-Base interactions energy: -978.436 where: short stacking energy: -420.935 Base-Backbone interact. energy: 1.933 local terms energy: -424.898086 where: bonds (distance) C4'-P energy: -74.610 bonds (distance) P-C4' energy: -81.744 flat angles C4'-P-C4' energy: -93.802 flat angles P-C4'-P energy: -65.580 tors. eta vs tors. theta energy: -109.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1333.081443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.081443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.081443 (E_RNA) where: Base-Base interactions energy: -911.452 where: short stacking energy: -394.591 Base-Backbone interact. energy: -1.510 local terms energy: -420.119169 where: bonds (distance) C4'-P energy: -67.717 bonds (distance) P-C4' energy: -72.668 flat angles C4'-P-C4' energy: -103.663 flat angles P-C4'-P energy: -62.705 tors. eta vs tors. theta energy: -113.366 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: 10 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1255.938626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.938626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.938626 (E_RNA) where: Base-Base interactions energy: -849.662 where: short stacking energy: -371.176 Base-Backbone interact. energy: -2.711 local terms energy: -403.565639 where: bonds (distance) C4'-P energy: -66.862 bonds (distance) P-C4' energy: -78.305 flat angles C4'-P-C4' energy: -82.330 flat angles P-C4'-P energy: -61.960 tors. eta vs tors. theta energy: -114.109 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: 9 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1144.213174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.213174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.213174 (E_RNA) where: Base-Base interactions energy: -769.959 where: short stacking energy: -327.682 Base-Backbone interact. energy: -3.376 local terms energy: -370.877883 where: bonds (distance) C4'-P energy: -76.851 bonds (distance) P-C4' energy: -77.532 flat angles C4'-P-C4' energy: -94.576 flat angles P-C4'-P energy: -40.502 tors. eta vs tors. theta energy: -81.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1186.300530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.300530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.300530 (E_RNA) where: Base-Base interactions energy: -803.819 where: short stacking energy: -362.547 Base-Backbone interact. energy: -2.031 local terms energy: -380.450475 where: bonds (distance) C4'-P energy: -70.926 bonds (distance) P-C4' energy: -78.082 flat angles C4'-P-C4' energy: -86.105 flat angles P-C4'-P energy: -50.198 tors. eta vs tors. theta energy: -95.139 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: 8, replica: 7 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -889.328825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.328825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.328825 (E_RNA) where: Base-Base interactions energy: -566.485 where: short stacking energy: -276.703 Base-Backbone interact. energy: 0.666 local terms energy: -323.510168 where: bonds (distance) C4'-P energy: -76.013 bonds (distance) P-C4' energy: -65.653 flat angles C4'-P-C4' energy: -78.933 flat angles P-C4'-P energy: -42.569 tors. eta vs tors. theta energy: -60.342 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: 9, replica: 5 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -798.586264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.586264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.586264 (E_RNA) where: Base-Base interactions energy: -517.363 where: short stacking energy: -210.099 Base-Backbone interact. energy: 0.149 local terms energy: -281.372181 where: bonds (distance) C4'-P energy: -57.971 bonds (distance) P-C4' energy: -79.080 flat angles C4'-P-C4' energy: -68.175 flat angles P-C4'-P energy: -40.742 tors. eta vs tors. theta energy: -35.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -580.186246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.186246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.186246 (E_RNA) where: Base-Base interactions energy: -330.317 where: short stacking energy: -160.936 Base-Backbone interact. energy: 0.442 local terms energy: -250.311444 where: bonds (distance) C4'-P energy: -73.109 bonds (distance) P-C4' energy: -75.440 flat angles C4'-P-C4' energy: -58.875 flat angles P-C4'-P energy: -31.754 tors. eta vs tors. theta energy: -11.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1513.732893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.732893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.732893 (E_RNA) where: Base-Base interactions energy: -1059.332 where: short stacking energy: -451.978 Base-Backbone interact. energy: -0.430 local terms energy: -453.970284 where: bonds (distance) C4'-P energy: -82.708 bonds (distance) P-C4' energy: -88.888 flat angles C4'-P-C4' energy: -91.875 flat angles P-C4'-P energy: -69.049 tors. eta vs tors. theta energy: -121.451 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: 2, replica: 2 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1481.975365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.975365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.975365 (E_RNA) where: Base-Base interactions energy: -1050.138 where: short stacking energy: -466.573 Base-Backbone interact. energy: 1.201 local terms energy: -433.038045 where: bonds (distance) C4'-P energy: -64.839 bonds (distance) P-C4' energy: -73.654 flat angles C4'-P-C4' energy: -90.684 flat angles P-C4'-P energy: -71.106 tors. eta vs tors. theta energy: -132.756 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: 1 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1376.020277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.020277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.020277 (E_RNA) where: Base-Base interactions energy: -987.566 where: short stacking energy: -401.177 Base-Backbone interact. energy: -3.346 local terms energy: -385.108724 where: bonds (distance) C4'-P energy: -71.162 bonds (distance) P-C4' energy: -81.198 flat angles C4'-P-C4' energy: -82.756 flat angles P-C4'-P energy: -52.359 tors. eta vs tors. theta energy: -97.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1312.028437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.028437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.028437 (E_RNA) where: Base-Base interactions energy: -912.703 where: short stacking energy: -388.646 Base-Backbone interact. energy: -2.096 local terms energy: -397.229131 where: bonds (distance) C4'-P energy: -73.233 bonds (distance) P-C4' energy: -82.996 flat angles C4'-P-C4' energy: -68.863 flat angles P-C4'-P energy: -55.391 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: 5, replica: 6 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1280.989421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.989421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.989421 (E_RNA) where: Base-Base interactions energy: -890.100 where: short stacking energy: -373.590 Base-Backbone interact. energy: -3.700 local terms energy: -387.189881 where: bonds (distance) C4'-P energy: -64.962 bonds (distance) P-C4' energy: -66.515 flat angles C4'-P-C4' energy: -93.331 flat angles P-C4'-P energy: -64.668 tors. eta vs tors. theta energy: -97.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1171.014520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.014520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.014520 (E_RNA) where: Base-Base interactions energy: -778.258 where: short stacking energy: -353.145 Base-Backbone interact. energy: -0.866 local terms energy: -391.890562 where: bonds (distance) C4'-P energy: -72.364 bonds (distance) P-C4' energy: -84.973 flat angles C4'-P-C4' energy: -85.935 flat angles P-C4'-P energy: -49.436 tors. eta vs tors. theta energy: -99.183 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: 7, replica: 8 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1164.612401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.612401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.612401 (E_RNA) where: Base-Base interactions energy: -784.444 where: short stacking energy: -339.467 Base-Backbone interact. energy: -0.102 local terms energy: -380.066019 where: bonds (distance) C4'-P energy: -75.747 bonds (distance) P-C4' energy: -78.470 flat angles C4'-P-C4' energy: -91.933 flat angles P-C4'-P energy: -50.828 tors. eta vs tors. theta energy: -83.087 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: 7 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -911.340969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.340969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.340969 (E_RNA) where: Base-Base interactions energy: -606.696 where: short stacking energy: -271.173 Base-Backbone interact. energy: 0.774 local terms energy: -305.419388 where: bonds (distance) C4'-P energy: -66.020 bonds (distance) P-C4' energy: -72.692 flat angles C4'-P-C4' energy: -66.748 flat angles P-C4'-P energy: -42.301 tors. eta vs tors. theta energy: -57.659 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: 5 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -867.490189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.490189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.490189 (E_RNA) where: Base-Base interactions energy: -573.098 where: short stacking energy: -260.630 Base-Backbone interact. energy: -2.657 local terms energy: -291.735671 where: bonds (distance) C4'-P energy: -62.346 bonds (distance) P-C4' energy: -69.385 flat angles C4'-P-C4' energy: -62.004 flat angles P-C4'-P energy: -48.280 tors. eta vs tors. theta energy: -49.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -551.122489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.122489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.122489 (E_RNA) where: Base-Base interactions energy: -312.886 where: short stacking energy: -154.589 Base-Backbone interact. energy: -3.194 local terms energy: -235.042634 where: bonds (distance) C4'-P energy: -76.392 bonds (distance) P-C4' energy: -43.537 flat angles C4'-P-C4' energy: -63.795 flat angles P-C4'-P energy: -45.009 tors. eta vs tors. theta energy: -6.310 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: 2 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1529.102714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.102714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.102714 (E_RNA) where: Base-Base interactions energy: -1071.704 where: short stacking energy: -480.509 Base-Backbone interact. energy: 0.711 local terms energy: -458.109602 where: bonds (distance) C4'-P energy: -77.451 bonds (distance) P-C4' energy: -88.494 flat angles C4'-P-C4' energy: -99.086 flat angles P-C4'-P energy: -58.879 tors. eta vs tors. theta energy: -134.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1497.855090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.855090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.855090 (E_RNA) where: Base-Base interactions energy: -1053.537 where: short stacking energy: -446.904 Base-Backbone interact. energy: -2.248 local terms energy: -442.069516 where: bonds (distance) C4'-P energy: -78.489 bonds (distance) P-C4' energy: -67.112 flat angles C4'-P-C4' energy: -98.467 flat angles P-C4'-P energy: -70.138 tors. eta vs tors. theta energy: -127.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1386.153794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.153794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.153794 (E_RNA) where: Base-Base interactions energy: -982.408 where: short stacking energy: -389.449 Base-Backbone interact. energy: -2.910 local terms energy: -400.835573 where: bonds (distance) C4'-P energy: -80.942 bonds (distance) P-C4' energy: -74.482 flat angles C4'-P-C4' energy: -87.791 flat angles P-C4'-P energy: -55.759 tors. eta vs tors. theta energy: -101.862 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: 10 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1323.805908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.805908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.805908 (E_RNA) where: Base-Base interactions energy: -907.562 where: short stacking energy: -403.210 Base-Backbone interact. energy: 0.271 local terms energy: -416.514880 where: bonds (distance) C4'-P energy: -66.590 bonds (distance) P-C4' energy: -81.112 flat angles C4'-P-C4' energy: -91.195 flat angles P-C4'-P energy: -58.852 tors. eta vs tors. theta energy: -118.765 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: 6 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1263.176782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.176782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.176782 (E_RNA) where: Base-Base interactions energy: -884.753 where: short stacking energy: -353.397 Base-Backbone interact. energy: -0.796 local terms energy: -377.627746 where: bonds (distance) C4'-P energy: -76.542 bonds (distance) P-C4' energy: -73.312 flat angles C4'-P-C4' energy: -80.237 flat angles P-C4'-P energy: -58.129 tors. eta vs tors. theta energy: -89.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1173.422909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.422909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.422909 (E_RNA) where: Base-Base interactions energy: -791.684 where: short stacking energy: -361.368 Base-Backbone interact. energy: -2.948 local terms energy: -378.790821 where: bonds (distance) C4'-P energy: -76.254 bonds (distance) P-C4' energy: -75.801 flat angles C4'-P-C4' energy: -80.613 flat angles P-C4'-P energy: -44.108 tors. eta vs tors. theta energy: -102.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1121.691440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.691440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.691440 (E_RNA) where: Base-Base interactions energy: -757.972 where: short stacking energy: -337.937 Base-Backbone interact. energy: -0.776 local terms energy: -362.943278 where: bonds (distance) C4'-P energy: -80.376 bonds (distance) P-C4' energy: -74.424 flat angles C4'-P-C4' energy: -72.722 flat angles P-C4'-P energy: -50.127 tors. eta vs tors. theta energy: -85.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -900.437943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.437943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.437943 (E_RNA) where: Base-Base interactions energy: -612.657 where: short stacking energy: -236.507 Base-Backbone interact. energy: -2.768 local terms energy: -285.013507 where: bonds (distance) C4'-P energy: -68.390 bonds (distance) P-C4' energy: -76.830 flat angles C4'-P-C4' energy: -53.901 flat angles P-C4'-P energy: -39.363 tors. eta vs tors. theta energy: -46.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -823.468012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.468012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.468012 (E_RNA) where: Base-Base interactions energy: -539.894 where: short stacking energy: -238.892 Base-Backbone interact. energy: 2.637 local terms energy: -286.211372 where: bonds (distance) C4'-P energy: -62.705 bonds (distance) P-C4' energy: -72.055 flat angles C4'-P-C4' energy: -66.148 flat angles P-C4'-P energy: -48.642 tors. eta vs tors. theta energy: -36.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -642.484435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.484435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.484435 (E_RNA) where: Base-Base interactions energy: -353.708 where: short stacking energy: -173.776 Base-Backbone interact. energy: -3.025 local terms energy: -285.751449 where: bonds (distance) C4'-P energy: -66.795 bonds (distance) P-C4' energy: -74.779 flat angles C4'-P-C4' energy: -67.036 flat angles P-C4'-P energy: -49.378 tors. eta vs tors. theta energy: -27.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1526.922994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.922994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.922994 (E_RNA) where: Base-Base interactions energy: -1048.066 where: short stacking energy: -479.734 Base-Backbone interact. energy: -0.939 local terms energy: -477.917506 where: bonds (distance) C4'-P energy: -89.672 bonds (distance) P-C4' energy: -81.750 flat angles C4'-P-C4' energy: -96.911 flat angles P-C4'-P energy: -75.697 tors. eta vs tors. theta energy: -133.888 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: 3 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1469.786325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.786325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.786325 (E_RNA) where: Base-Base interactions energy: -1036.217 where: short stacking energy: -441.760 Base-Backbone interact. energy: -0.423 local terms energy: -433.146338 where: bonds (distance) C4'-P energy: -78.132 bonds (distance) P-C4' energy: -81.523 flat angles C4'-P-C4' energy: -94.025 flat angles P-C4'-P energy: -54.843 tors. eta vs tors. theta energy: -124.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1422.436065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.436065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.436065 (E_RNA) where: Base-Base interactions energy: -997.605 where: short stacking energy: -400.752 Base-Backbone interact. energy: -2.867 local terms energy: -421.964957 where: bonds (distance) C4'-P energy: -88.159 bonds (distance) P-C4' energy: -84.492 flat angles C4'-P-C4' energy: -87.848 flat angles P-C4'-P energy: -60.010 tors. eta vs tors. theta energy: -101.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1306.151231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.151231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.151231 (E_RNA) where: Base-Base interactions energy: -892.989 where: short stacking energy: -399.706 Base-Backbone interact. energy: -0.913 local terms energy: -412.249598 where: bonds (distance) C4'-P energy: -80.093 bonds (distance) P-C4' energy: -72.369 flat angles C4'-P-C4' energy: -87.214 flat angles P-C4'-P energy: -64.892 tors. eta vs tors. theta energy: -107.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1284.778050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.778050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.778050 (E_RNA) where: Base-Base interactions energy: -874.540 where: short stacking energy: -384.608 Base-Backbone interact. energy: -0.920 local terms energy: -409.317704 where: bonds (distance) C4'-P energy: -78.093 bonds (distance) P-C4' energy: -77.997 flat angles C4'-P-C4' energy: -96.971 flat angles P-C4'-P energy: -53.553 tors. eta vs tors. theta energy: -102.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1174.043051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.043051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.043051 (E_RNA) where: Base-Base interactions energy: -783.187 where: short stacking energy: -362.341 Base-Backbone interact. energy: -1.070 local terms energy: -389.786297 where: bonds (distance) C4'-P energy: -73.674 bonds (distance) P-C4' energy: -80.358 flat angles C4'-P-C4' energy: -91.726 flat angles P-C4'-P energy: -44.906 tors. eta vs tors. theta energy: -99.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1147.888596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.888596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.888596 (E_RNA) where: Base-Base interactions energy: -776.510 where: short stacking energy: -371.955 Base-Backbone interact. energy: -2.256 local terms energy: -369.122130 where: bonds (distance) C4'-P energy: -62.446 bonds (distance) P-C4' energy: -71.905 flat angles C4'-P-C4' energy: -83.740 flat angles P-C4'-P energy: -46.899 tors. eta vs tors. theta energy: -104.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -896.657127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.657127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.657127 (E_RNA) where: Base-Base interactions energy: -614.993 where: short stacking energy: -249.335 Base-Backbone interact. energy: -0.266 local terms energy: -281.397881 where: bonds (distance) C4'-P energy: -59.893 bonds (distance) P-C4' energy: -74.036 flat angles C4'-P-C4' energy: -60.851 flat angles P-C4'-P energy: -42.938 tors. eta vs tors. theta energy: -43.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -848.895518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.895518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.895518 (E_RNA) where: Base-Base interactions energy: -543.675 where: short stacking energy: -239.445 Base-Backbone interact. energy: 2.402 local terms energy: -307.622542 where: bonds (distance) C4'-P energy: -54.394 bonds (distance) P-C4' energy: -78.439 flat angles C4'-P-C4' energy: -69.123 flat angles P-C4'-P energy: -49.811 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: 10, replica: 4 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -655.831899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.831899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.831899 (E_RNA) where: Base-Base interactions energy: -403.874 where: short stacking energy: -198.584 Base-Backbone interact. energy: -0.405 local terms energy: -251.552289 where: bonds (distance) C4'-P energy: -59.070 bonds (distance) P-C4' energy: -68.288 flat angles C4'-P-C4' energy: -59.685 flat angles P-C4'-P energy: -44.027 tors. eta vs tors. theta energy: -20.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1510.417939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.417939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.417939 (E_RNA) where: Base-Base interactions energy: -1046.969 where: short stacking energy: -463.564 Base-Backbone interact. energy: -0.903 local terms energy: -462.545917 where: bonds (distance) C4'-P energy: -79.212 bonds (distance) P-C4' energy: -88.947 flat angles C4'-P-C4' energy: -98.410 flat angles P-C4'-P energy: -63.825 tors. eta vs tors. theta energy: -132.152 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: 2, replica: 3 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1474.679409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.679409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.679409 (E_RNA) where: Base-Base interactions energy: -1035.514 where: short stacking energy: -441.324 Base-Backbone interact. energy: -0.216 local terms energy: -438.949675 where: bonds (distance) C4'-P energy: -78.344 bonds (distance) P-C4' energy: -76.342 flat angles C4'-P-C4' energy: -91.036 flat angles P-C4'-P energy: -63.178 tors. eta vs tors. theta energy: -130.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1410.595938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.595938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.595938 (E_RNA) where: Base-Base interactions energy: -994.967 where: short stacking energy: -396.514 Base-Backbone interact. energy: -0.911 local terms energy: -414.717615 where: bonds (distance) C4'-P energy: -83.310 bonds (distance) P-C4' energy: -81.776 flat angles C4'-P-C4' energy: -93.011 flat angles P-C4'-P energy: -54.796 tors. eta vs tors. theta energy: -101.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1281.356899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.356899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.356899 (E_RNA) where: Base-Base interactions energy: -893.181 where: short stacking energy: -382.689 Base-Backbone interact. energy: -2.129 local terms energy: -386.047222 where: bonds (distance) C4'-P energy: -73.238 bonds (distance) P-C4' energy: -71.571 flat angles C4'-P-C4' energy: -86.120 flat angles P-C4'-P energy: -65.354 tors. eta vs tors. theta energy: -89.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1315.445216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.445216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.445216 (E_RNA) where: Base-Base interactions energy: -921.565 where: short stacking energy: -389.463 Base-Backbone interact. energy: -1.567 local terms energy: -392.313815 where: bonds (distance) C4'-P energy: -68.348 bonds (distance) P-C4' energy: -83.689 flat angles C4'-P-C4' energy: -82.157 flat angles P-C4'-P energy: -60.074 tors. eta vs tors. theta energy: -98.045 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: 6, replica: 9 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1202.256558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.256558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.256558 (E_RNA) where: Base-Base interactions energy: -809.418 where: short stacking energy: -351.943 Base-Backbone interact. energy: 0.408 local terms energy: -393.246799 where: bonds (distance) C4'-P energy: -76.623 bonds (distance) P-C4' energy: -80.504 flat angles C4'-P-C4' energy: -76.851 flat angles P-C4'-P energy: -60.401 tors. eta vs tors. theta energy: -98.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1157.310273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.310273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.310273 (E_RNA) where: Base-Base interactions energy: -777.979 where: short stacking energy: -345.404 Base-Backbone interact. energy: 1.117 local terms energy: -380.448590 where: bonds (distance) C4'-P energy: -79.948 bonds (distance) P-C4' energy: -55.653 flat angles C4'-P-C4' energy: -95.388 flat angles P-C4'-P energy: -61.661 tors. eta vs tors. theta energy: -87.799 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: 7 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -882.228218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.228218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.228218 (E_RNA) where: Base-Base interactions energy: -580.935 where: short stacking energy: -268.403 Base-Backbone interact. energy: -1.959 local terms energy: -299.333681 where: bonds (distance) C4'-P energy: -60.239 bonds (distance) P-C4' energy: -76.515 flat angles C4'-P-C4' energy: -68.242 flat angles P-C4'-P energy: -44.540 tors. eta vs tors. theta energy: -49.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -873.817836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.817836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.817836 (E_RNA) where: Base-Base interactions energy: -586.129 where: short stacking energy: -263.946 Base-Backbone interact. energy: -1.542 local terms energy: -286.146631 where: bonds (distance) C4'-P energy: -61.297 bonds (distance) P-C4' energy: -74.568 flat angles C4'-P-C4' energy: -71.020 flat angles P-C4'-P energy: -32.195 tors. eta vs tors. theta energy: -47.067 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: 4 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -623.077596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.077596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.077596 (E_RNA) where: Base-Base interactions energy: -369.841 where: short stacking energy: -157.461 Base-Backbone interact. energy: -1.490 local terms energy: -251.746732 where: bonds (distance) C4'-P energy: -67.117 bonds (distance) P-C4' energy: -67.253 flat angles C4'-P-C4' energy: -64.783 flat angles P-C4'-P energy: -44.463 tors. eta vs tors. theta energy: -8.131 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: 2 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1538.312182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.312182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.312182 (E_RNA) where: Base-Base interactions energy: -1062.863 where: short stacking energy: -477.699 Base-Backbone interact. energy: -1.079 local terms energy: -474.370413 where: bonds (distance) C4'-P energy: -87.466 bonds (distance) P-C4' energy: -87.191 flat angles C4'-P-C4' energy: -93.749 flat angles P-C4'-P energy: -64.128 tors. eta vs tors. theta energy: -141.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -1482.842223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.842223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.842223 (E_RNA) where: Base-Base interactions energy: -1025.865 where: short stacking energy: -451.613 Base-Backbone interact. energy: -2.425 local terms energy: -454.552133 where: bonds (distance) C4'-P energy: -78.698 bonds (distance) P-C4' energy: -87.400 flat angles C4'-P-C4' energy: -95.457 flat angles P-C4'-P energy: -65.120 tors. eta vs tors. theta energy: -127.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1403.182254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.182254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.182254 (E_RNA) where: Base-Base interactions energy: -987.925 where: short stacking energy: -402.882 Base-Backbone interact. energy: 1.823 local terms energy: -417.080356 where: bonds (distance) C4'-P energy: -72.195 bonds (distance) P-C4' energy: -83.418 flat angles C4'-P-C4' energy: -96.279 flat angles P-C4'-P energy: -55.333 tors. eta vs tors. theta energy: -109.855 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: 10 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1360.801195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.801195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.801195 (E_RNA) where: Base-Base interactions energy: -944.804 where: short stacking energy: -413.377 Base-Backbone interact. energy: -1.717 local terms energy: -414.280794 where: bonds (distance) C4'-P energy: -73.703 bonds (distance) P-C4' energy: -75.150 flat angles C4'-P-C4' energy: -94.397 flat angles P-C4'-P energy: -62.026 tors. eta vs tors. theta energy: -109.005 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: 6 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1292.740227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.740227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.740227 (E_RNA) where: Base-Base interactions energy: -881.914 where: short stacking energy: -406.053 Base-Backbone interact. energy: -0.829 local terms energy: -409.997669 where: bonds (distance) C4'-P energy: -70.194 bonds (distance) P-C4' energy: -74.735 flat angles C4'-P-C4' energy: -88.882 flat angles P-C4'-P energy: -61.807 tors. eta vs tors. theta energy: -114.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1203.497725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.497725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.497725 (E_RNA) where: Base-Base interactions energy: -847.029 where: short stacking energy: -357.139 Base-Backbone interact. energy: -3.076 local terms energy: -353.392887 where: bonds (distance) C4'-P energy: -69.091 bonds (distance) P-C4' energy: -63.639 flat angles C4'-P-C4' energy: -73.883 flat angles P-C4'-P energy: -57.738 tors. eta vs tors. theta energy: -89.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1189.005233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.005233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.005233 (E_RNA) where: Base-Base interactions energy: -806.177 where: short stacking energy: -371.593 Base-Backbone interact. energy: -1.775 local terms energy: -381.053778 where: bonds (distance) C4'-P energy: -59.324 bonds (distance) P-C4' energy: -76.929 flat angles C4'-P-C4' energy: -89.548 flat angles P-C4'-P energy: -57.458 tors. eta vs tors. theta energy: -97.794 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: 7 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -900.074469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.074469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.074469 (E_RNA) where: Base-Base interactions energy: -596.550 where: short stacking energy: -263.461 Base-Backbone interact. energy: -4.229 local terms energy: -299.295761 where: bonds (distance) C4'-P energy: -85.289 bonds (distance) P-C4' energy: -69.703 flat angles C4'-P-C4' energy: -59.667 flat angles P-C4'-P energy: -35.319 tors. eta vs tors. theta energy: -49.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -854.183707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.183707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.183707 (E_RNA) where: Base-Base interactions energy: -563.410 where: short stacking energy: -252.708 Base-Backbone interact. energy: 2.896 local terms energy: -293.669773 where: bonds (distance) C4'-P energy: -57.422 bonds (distance) P-C4' energy: -75.027 flat angles C4'-P-C4' energy: -59.451 flat angles P-C4'-P energy: -53.395 tors. eta vs tors. theta energy: -48.374 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: 4 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -610.005512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.005512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.005512 (E_RNA) where: Base-Base interactions energy: -393.416 where: short stacking energy: -174.296 Base-Backbone interact. energy: 1.498 local terms energy: -218.087444 where: bonds (distance) C4'-P energy: -59.934 bonds (distance) P-C4' energy: -53.213 flat angles C4'-P-C4' energy: -57.146 flat angles P-C4'-P energy: -37.559 tors. eta vs tors. theta energy: -10.236 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: 2 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1508.516204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.516204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.516204 (E_RNA) where: Base-Base interactions energy: -1050.238 where: short stacking energy: -466.983 Base-Backbone interact. energy: -1.715 local terms energy: -456.563532 where: bonds (distance) C4'-P energy: -85.905 bonds (distance) P-C4' energy: -87.977 flat angles C4'-P-C4' energy: -98.545 flat angles P-C4'-P energy: -57.370 tors. eta vs tors. theta energy: -126.767 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: 3 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1492.718985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.718985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.718985 (E_RNA) where: Base-Base interactions energy: -1058.536 where: short stacking energy: -442.363 Base-Backbone interact. energy: -1.038 local terms energy: -433.145505 where: bonds (distance) C4'-P energy: -77.928 bonds (distance) P-C4' energy: -82.873 flat angles C4'-P-C4' energy: -96.293 flat angles P-C4'-P energy: -51.379 tors. eta vs tors. theta energy: -124.673 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: 218 Temperature: 1.000000 Total energy: -1414.493343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.493343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.493343 (E_RNA) where: Base-Base interactions energy: -997.131 where: short stacking energy: -409.848 Base-Backbone interact. energy: 0.664 local terms energy: -418.026505 where: bonds (distance) C4'-P energy: -78.233 bonds (distance) P-C4' energy: -74.425 flat angles C4'-P-C4' energy: -92.449 flat angles P-C4'-P energy: -58.012 tors. eta vs tors. theta energy: -114.906 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: 10 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1372.497359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.497359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.497359 (E_RNA) where: Base-Base interactions energy: -960.776 where: short stacking energy: -406.508 Base-Backbone interact. energy: -3.106 local terms energy: -408.615898 where: bonds (distance) C4'-P energy: -72.359 bonds (distance) P-C4' energy: -72.671 flat angles C4'-P-C4' energy: -94.903 flat angles P-C4'-P energy: -50.242 tors. eta vs tors. theta energy: -118.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1261.869524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.869524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.869524 (E_RNA) where: Base-Base interactions energy: -868.634 where: short stacking energy: -379.723 Base-Backbone interact. energy: 1.569 local terms energy: -394.804492 where: bonds (distance) C4'-P energy: -77.041 bonds (distance) P-C4' energy: -75.294 flat angles C4'-P-C4' energy: -72.549 flat angles P-C4'-P energy: -64.522 tors. eta vs tors. theta energy: -105.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1246.067833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.067833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.067833 (E_RNA) where: Base-Base interactions energy: -867.316 where: short stacking energy: -385.677 Base-Backbone interact. energy: 0.240 local terms energy: -378.991358 where: bonds (distance) C4'-P energy: -69.606 bonds (distance) P-C4' energy: -74.220 flat angles C4'-P-C4' energy: -79.403 flat angles P-C4'-P energy: -51.373 tors. eta vs tors. theta energy: -104.390 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: 9 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1149.792612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.792612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.792612 (E_RNA) where: Base-Base interactions energy: -782.412 where: short stacking energy: -359.692 Base-Backbone interact. energy: 0.264 local terms energy: -367.645115 where: bonds (distance) C4'-P energy: -74.443 bonds (distance) P-C4' energy: -66.759 flat angles C4'-P-C4' energy: -86.250 flat angles P-C4'-P energy: -54.560 tors. eta vs tors. theta energy: -85.633 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: 7 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -912.649557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.649557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.649557 (E_RNA) where: Base-Base interactions energy: -571.010 where: short stacking energy: -272.678 Base-Backbone interact. energy: -2.139 local terms energy: -339.500944 where: bonds (distance) C4'-P energy: -73.224 bonds (distance) P-C4' energy: -77.896 flat angles C4'-P-C4' energy: -82.322 flat angles P-C4'-P energy: -47.711 tors. eta vs tors. theta energy: -58.348 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: 5 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -849.150197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.150197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.150197 (E_RNA) where: Base-Base interactions energy: -538.956 where: short stacking energy: -240.247 Base-Backbone interact. energy: 3.544 local terms energy: -313.737774 where: bonds (distance) C4'-P energy: -75.798 bonds (distance) P-C4' energy: -81.662 flat angles C4'-P-C4' energy: -72.423 flat angles P-C4'-P energy: -32.446 tors. eta vs tors. theta energy: -51.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -624.454716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.454716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.454716 (E_RNA) where: Base-Base interactions energy: -389.160 where: short stacking energy: -186.200 Base-Backbone interact. energy: 1.648 local terms energy: -236.942240 where: bonds (distance) C4'-P energy: -56.583 bonds (distance) P-C4' energy: -66.063 flat angles C4'-P-C4' energy: -62.831 flat angles P-C4'-P energy: -33.623 tors. eta vs tors. theta energy: -17.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1523.160882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.160882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.160882 (E_RNA) where: Base-Base interactions energy: -1060.092 where: short stacking energy: -463.211 Base-Backbone interact. energy: -2.241 local terms energy: -460.827799 where: bonds (distance) C4'-P energy: -83.641 bonds (distance) P-C4' energy: -80.707 flat angles C4'-P-C4' energy: -94.481 flat angles P-C4'-P energy: -69.392 tors. eta vs tors. theta energy: -132.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1486.447901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.447901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.447901 (E_RNA) where: Base-Base interactions energy: -1047.216 where: short stacking energy: -450.589 Base-Backbone interact. energy: -3.269 local terms energy: -435.963219 where: bonds (distance) C4'-P energy: -77.639 bonds (distance) P-C4' energy: -85.362 flat angles C4'-P-C4' energy: -92.463 flat angles P-C4'-P energy: -54.300 tors. eta vs tors. theta energy: -126.199 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: 1 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1400.101180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.101180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.101180 (E_RNA) where: Base-Base interactions energy: -987.275 where: short stacking energy: -388.789 Base-Backbone interact. energy: -2.846 local terms energy: -409.980824 where: bonds (distance) C4'-P energy: -82.174 bonds (distance) P-C4' energy: -87.270 flat angles C4'-P-C4' energy: -84.426 flat angles P-C4'-P energy: -53.524 tors. eta vs tors. theta energy: -102.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1350.229014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.229014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.229014 (E_RNA) where: Base-Base interactions energy: -959.470 where: short stacking energy: -419.493 Base-Backbone interact. energy: -0.974 local terms energy: -389.784964 where: bonds (distance) C4'-P energy: -71.076 bonds (distance) P-C4' energy: -66.740 flat angles C4'-P-C4' energy: -79.694 flat angles P-C4'-P energy: -60.969 tors. eta vs tors. theta energy: -111.306 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: 8 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1282.795117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.795117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.795117 (E_RNA) where: Base-Base interactions energy: -907.425 where: short stacking energy: -380.150 Base-Backbone interact. energy: 0.044 local terms energy: -375.413476 where: bonds (distance) C4'-P energy: -74.979 bonds (distance) P-C4' energy: -70.570 flat angles C4'-P-C4' energy: -76.695 flat angles P-C4'-P energy: -55.271 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: 6, replica: 9 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1212.513145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.513145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.513145 (E_RNA) where: Base-Base interactions energy: -843.413 where: short stacking energy: -356.603 Base-Backbone interact. energy: 0.958 local terms energy: -370.057932 where: bonds (distance) C4'-P energy: -64.191 bonds (distance) P-C4' energy: -67.918 flat angles C4'-P-C4' energy: -87.440 flat angles P-C4'-P energy: -53.411 tors. eta vs tors. theta energy: -97.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1190.154291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.154291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.154291 (E_RNA) where: Base-Base interactions energy: -824.767 where: short stacking energy: -349.290 Base-Backbone interact. energy: -0.718 local terms energy: -364.669511 where: bonds (distance) C4'-P energy: -68.278 bonds (distance) P-C4' energy: -81.115 flat angles C4'-P-C4' energy: -75.134 flat angles P-C4'-P energy: -50.933 tors. eta vs tors. theta energy: -89.210 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: 7 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -911.191586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.191586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.191586 (E_RNA) where: Base-Base interactions energy: -578.648 where: short stacking energy: -259.969 Base-Backbone interact. energy: -1.652 local terms energy: -330.890879 where: bonds (distance) C4'-P energy: -67.856 bonds (distance) P-C4' energy: -75.731 flat angles C4'-P-C4' energy: -78.631 flat angles P-C4'-P energy: -48.722 tors. eta vs tors. theta energy: -59.950 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: 5 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -848.343743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.343743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.343743 (E_RNA) where: Base-Base interactions energy: -558.099 where: short stacking energy: -255.944 Base-Backbone interact. energy: -2.129 local terms energy: -288.115709 where: bonds (distance) C4'-P energy: -54.553 bonds (distance) P-C4' energy: -74.504 flat angles C4'-P-C4' energy: -66.085 flat angles P-C4'-P energy: -43.902 tors. eta vs tors. theta energy: -49.071 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: 4 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -699.188335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.188335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.188335 (E_RNA) where: Base-Base interactions energy: -446.972 where: short stacking energy: -223.671 Base-Backbone interact. energy: 0.226 local terms energy: -252.442312 where: bonds (distance) C4'-P energy: -58.418 bonds (distance) P-C4' energy: -72.101 flat angles C4'-P-C4' energy: -54.667 flat angles P-C4'-P energy: -35.163 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: 1, replica: 2 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1533.782821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.782821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.782821 (E_RNA) where: Base-Base interactions energy: -1065.475 where: short stacking energy: -472.277 Base-Backbone interact. energy: -2.372 local terms energy: -465.935915 where: bonds (distance) C4'-P energy: -81.005 bonds (distance) P-C4' energy: -92.083 flat angles C4'-P-C4' energy: -99.700 flat angles P-C4'-P energy: -61.751 tors. eta vs tors. theta energy: -131.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -1464.284652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.284652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.284652 (E_RNA) where: Base-Base interactions energy: -1035.144 where: short stacking energy: -431.220 Base-Backbone interact. energy: -2.415 local terms energy: -426.725916 where: bonds (distance) C4'-P energy: -79.120 bonds (distance) P-C4' energy: -80.301 flat angles C4'-P-C4' energy: -91.001 flat angles P-C4'-P energy: -56.227 tors. eta vs tors. theta energy: -120.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1383.969625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.969625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.969625 (E_RNA) where: Base-Base interactions energy: -958.190 where: short stacking energy: -407.254 Base-Backbone interact. energy: 0.234 local terms energy: -426.013159 where: bonds (distance) C4'-P energy: -78.008 bonds (distance) P-C4' energy: -81.638 flat angles C4'-P-C4' energy: -89.000 flat angles P-C4'-P energy: -63.910 tors. eta vs tors. theta energy: -113.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1364.613948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.613948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.613948 (E_RNA) where: Base-Base interactions energy: -955.886 where: short stacking energy: -392.729 Base-Backbone interact. energy: -2.265 local terms energy: -406.462720 where: bonds (distance) C4'-P energy: -86.949 bonds (distance) P-C4' energy: -78.228 flat angles C4'-P-C4' energy: -86.792 flat angles P-C4'-P energy: -50.385 tors. eta vs tors. theta energy: -104.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1264.612152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.612152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.612152 (E_RNA) where: Base-Base interactions energy: -899.956 where: short stacking energy: -375.719 Base-Backbone interact. energy: -1.547 local terms energy: -363.109197 where: bonds (distance) C4'-P energy: -62.185 bonds (distance) P-C4' energy: -69.820 flat angles C4'-P-C4' energy: -89.298 flat angles P-C4'-P energy: -48.098 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: 6, replica: 9 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1191.847479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.847479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.847479 (E_RNA) where: Base-Base interactions energy: -802.866 where: short stacking energy: -345.434 Base-Backbone interact. energy: -0.454 local terms energy: -388.526902 where: bonds (distance) C4'-P energy: -78.965 bonds (distance) P-C4' energy: -76.218 flat angles C4'-P-C4' energy: -89.317 flat angles P-C4'-P energy: -54.309 tors. eta vs tors. theta energy: -89.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1160.038948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.038948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.038948 (E_RNA) where: Base-Base interactions energy: -804.378 where: short stacking energy: -341.074 Base-Backbone interact. energy: -2.190 local terms energy: -353.470970 where: bonds (distance) C4'-P energy: -80.553 bonds (distance) P-C4' energy: -59.851 flat angles C4'-P-C4' energy: -69.098 flat angles P-C4'-P energy: -50.968 tors. eta vs tors. theta energy: -93.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -921.581144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.581144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.581144 (E_RNA) where: Base-Base interactions energy: -610.731 where: short stacking energy: -295.610 Base-Backbone interact. energy: -2.301 local terms energy: -308.548779 where: bonds (distance) C4'-P energy: -70.661 bonds (distance) P-C4' energy: -49.876 flat angles C4'-P-C4' energy: -79.338 flat angles P-C4'-P energy: -45.475 tors. eta vs tors. theta energy: -63.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -837.990422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.990422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.990422 (E_RNA) where: Base-Base interactions energy: -555.650 where: short stacking energy: -225.785 Base-Backbone interact. energy: -2.079 local terms energy: -280.262329 where: bonds (distance) C4'-P energy: -60.866 bonds (distance) P-C4' energy: -61.231 flat angles C4'-P-C4' energy: -81.909 flat angles P-C4'-P energy: -47.515 tors. eta vs tors. theta energy: -28.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -675.545582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.545582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.545582 (E_RNA) where: Base-Base interactions energy: -403.733 where: short stacking energy: -199.710 Base-Backbone interact. energy: -1.612 local terms energy: -270.200412 where: bonds (distance) C4'-P energy: -88.351 bonds (distance) P-C4' energy: -61.518 flat angles C4'-P-C4' energy: -68.204 flat angles P-C4'-P energy: -29.065 tors. eta vs tors. theta energy: -23.063 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: 2 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1517.790935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.790935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.790935 (E_RNA) where: Base-Base interactions energy: -1046.381 where: short stacking energy: -461.813 Base-Backbone interact. energy: -0.198 local terms energy: -471.211887 where: bonds (distance) C4'-P energy: -87.072 bonds (distance) P-C4' energy: -86.813 flat angles C4'-P-C4' energy: -100.620 flat angles P-C4'-P energy: -64.423 tors. eta vs tors. theta energy: -132.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1481.233602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.233602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.233602 (E_RNA) where: Base-Base interactions energy: -1048.094 where: short stacking energy: -442.336 Base-Backbone interact. energy: -0.234 local terms energy: -432.904837 where: bonds (distance) C4'-P energy: -84.837 bonds (distance) P-C4' energy: -69.137 flat angles C4'-P-C4' energy: -88.548 flat angles P-C4'-P energy: -65.136 tors. eta vs tors. theta energy: -125.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1386.183392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.183392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.183392 (E_RNA) where: Base-Base interactions energy: -955.278 where: short stacking energy: -408.909 Base-Backbone interact. energy: 4.384 local terms energy: -435.289731 where: bonds (distance) C4'-P energy: -76.489 bonds (distance) P-C4' energy: -85.247 flat angles C4'-P-C4' energy: -87.598 flat angles P-C4'-P energy: -66.162 tors. eta vs tors. theta energy: -119.793 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: 1 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1329.733563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.733563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.733563 (E_RNA) where: Base-Base interactions energy: -952.059 where: short stacking energy: -362.213 Base-Backbone interact. energy: 3.319 local terms energy: -380.994116 where: bonds (distance) C4'-P energy: -71.374 bonds (distance) P-C4' energy: -76.185 flat angles C4'-P-C4' energy: -86.348 flat angles P-C4'-P energy: -45.876 tors. eta vs tors. theta energy: -101.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1251.356655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.356655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.356655 (E_RNA) where: Base-Base interactions energy: -889.338 where: short stacking energy: -394.273 Base-Backbone interact. energy: -0.875 local terms energy: -361.144072 where: bonds (distance) C4'-P energy: -70.150 bonds (distance) P-C4' energy: -57.275 flat angles C4'-P-C4' energy: -84.594 flat angles P-C4'-P energy: -48.155 tors. eta vs tors. theta energy: -100.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1188.325942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.325942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.325942 (E_RNA) where: Base-Base interactions energy: -824.728 where: short stacking energy: -359.644 Base-Backbone interact. energy: 1.353 local terms energy: -364.951698 where: bonds (distance) C4'-P energy: -74.776 bonds (distance) P-C4' energy: -74.116 flat angles C4'-P-C4' energy: -79.951 flat angles P-C4'-P energy: -48.291 tors. eta vs tors. theta energy: -87.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1165.573753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.573753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.573753 (E_RNA) where: Base-Base interactions energy: -792.918 where: short stacking energy: -350.927 Base-Backbone interact. energy: -0.621 local terms energy: -372.034656 where: bonds (distance) C4'-P energy: -64.046 bonds (distance) P-C4' energy: -72.796 flat angles C4'-P-C4' energy: -86.103 flat angles P-C4'-P energy: -49.104 tors. eta vs tors. theta energy: -99.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -929.399172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.399172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.399172 (E_RNA) where: Base-Base interactions energy: -601.339 where: short stacking energy: -312.219 Base-Backbone interact. energy: -0.663 local terms energy: -327.397323 where: bonds (distance) C4'-P energy: -82.303 bonds (distance) P-C4' energy: -67.471 flat angles C4'-P-C4' energy: -71.946 flat angles P-C4'-P energy: -33.312 tors. eta vs tors. theta energy: -72.365 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: 9, replica: 5 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -837.054275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.054275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.054275 (E_RNA) where: Base-Base interactions energy: -541.488 where: short stacking energy: -239.161 Base-Backbone interact. energy: -0.277 local terms energy: -295.289647 where: bonds (distance) C4'-P energy: -62.100 bonds (distance) P-C4' energy: -70.291 flat angles C4'-P-C4' energy: -70.414 flat angles P-C4'-P energy: -46.778 tors. eta vs tors. theta energy: -45.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -600.946391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.946391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.946391 (E_RNA) where: Base-Base interactions energy: -355.129 where: short stacking energy: -181.128 Base-Backbone interact. energy: -1.188 local terms energy: -244.629155 where: bonds (distance) C4'-P energy: -61.728 bonds (distance) P-C4' energy: -70.868 flat angles C4'-P-C4' energy: -51.658 flat angles P-C4'-P energy: -40.182 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: 1, replica: 2 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1539.197540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.197540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.197540 (E_RNA) where: Base-Base interactions energy: -1066.886 where: short stacking energy: -466.430 Base-Backbone interact. energy: -1.560 local terms energy: -470.751365 where: bonds (distance) C4'-P energy: -80.076 bonds (distance) P-C4' energy: -86.151 flat angles C4'-P-C4' energy: -101.035 flat angles P-C4'-P energy: -66.316 tors. eta vs tors. theta energy: -137.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1504.901771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.901771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.901771 (E_RNA) where: Base-Base interactions energy: -1035.871 where: short stacking energy: -435.789 Base-Backbone interact. energy: -0.117 local terms energy: -468.913210 where: bonds (distance) C4'-P energy: -88.642 bonds (distance) P-C4' energy: -95.310 flat angles C4'-P-C4' energy: -98.549 flat angles P-C4'-P energy: -64.736 tors. eta vs tors. theta energy: -121.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1362.564182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.564182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.564182 (E_RNA) where: Base-Base interactions energy: -953.149 where: short stacking energy: -382.799 Base-Backbone interact. energy: -2.352 local terms energy: -407.062893 where: bonds (distance) C4'-P energy: -77.808 bonds (distance) P-C4' energy: -89.087 flat angles C4'-P-C4' energy: -89.069 flat angles P-C4'-P energy: -53.495 tors. eta vs tors. theta energy: -97.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -1335.299133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.299133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.299133 (E_RNA) where: Base-Base interactions energy: -907.570 where: short stacking energy: -386.153 Base-Backbone interact. energy: -0.848 local terms energy: -426.881012 where: bonds (distance) C4'-P energy: -73.145 bonds (distance) P-C4' energy: -87.368 flat angles C4'-P-C4' energy: -84.456 flat angles P-C4'-P energy: -69.225 tors. eta vs tors. theta energy: -112.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1265.626001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.626001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.626001 (E_RNA) where: Base-Base interactions energy: -891.089 where: short stacking energy: -377.823 Base-Backbone interact. energy: -2.679 local terms energy: -371.857547 where: bonds (distance) C4'-P energy: -70.194 bonds (distance) P-C4' energy: -75.393 flat angles C4'-P-C4' energy: -70.891 flat angles P-C4'-P energy: -61.508 tors. eta vs tors. theta energy: -93.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1164.216159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.216159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.216159 (E_RNA) where: Base-Base interactions energy: -795.947 where: short stacking energy: -329.037 Base-Backbone interact. energy: -2.472 local terms energy: -365.797025 where: bonds (distance) C4'-P energy: -74.550 bonds (distance) P-C4' energy: -74.191 flat angles C4'-P-C4' energy: -80.136 flat angles P-C4'-P energy: -49.431 tors. eta vs tors. theta energy: -87.489 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: 9 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1169.209098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.209098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.209098 (E_RNA) where: Base-Base interactions energy: -786.413 where: short stacking energy: -353.213 Base-Backbone interact. energy: 0.001 local terms energy: -382.796405 where: bonds (distance) C4'-P energy: -65.280 bonds (distance) P-C4' energy: -83.287 flat angles C4'-P-C4' energy: -83.194 flat angles P-C4'-P energy: -52.189 tors. eta vs tors. theta energy: -98.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -920.335954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.335954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.335954 (E_RNA) where: Base-Base interactions energy: -600.984 where: short stacking energy: -253.608 Base-Backbone interact. energy: -2.906 local terms energy: -316.445690 where: bonds (distance) C4'-P energy: -69.244 bonds (distance) P-C4' energy: -77.498 flat angles C4'-P-C4' energy: -63.839 flat angles P-C4'-P energy: -41.811 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: 9, replica: 5 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -804.788155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.788155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.788155 (E_RNA) where: Base-Base interactions energy: -519.887 where: short stacking energy: -232.494 Base-Backbone interact. energy: -1.332 local terms energy: -283.568564 where: bonds (distance) C4'-P energy: -60.935 bonds (distance) P-C4' energy: -70.109 flat angles C4'-P-C4' energy: -62.528 flat angles P-C4'-P energy: -51.898 tors. eta vs tors. theta energy: -38.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -637.657789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.657789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.657789 (E_RNA) where: Base-Base interactions energy: -382.830 where: short stacking energy: -172.384 Base-Backbone interact. energy: 2.537 local terms energy: -257.365405 where: bonds (distance) C4'-P energy: -72.878 bonds (distance) P-C4' energy: -58.626 flat angles C4'-P-C4' energy: -72.593 flat angles P-C4'-P energy: -39.965 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: 1, replica: 2 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1528.334411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.334411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.334411 (E_RNA) where: Base-Base interactions energy: -1061.257 where: short stacking energy: -477.573 Base-Backbone interact. energy: -1.758 local terms energy: -465.319408 where: bonds (distance) C4'-P energy: -87.865 bonds (distance) P-C4' energy: -80.853 flat angles C4'-P-C4' energy: -85.831 flat angles P-C4'-P energy: -76.177 tors. eta vs tors. theta energy: -134.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1463.706806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.706806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.706806 (E_RNA) where: Base-Base interactions energy: -1024.009 where: short stacking energy: -443.765 Base-Backbone interact. energy: -1.398 local terms energy: -438.298997 where: bonds (distance) C4'-P energy: -79.255 bonds (distance) P-C4' energy: -78.030 flat angles C4'-P-C4' energy: -99.332 flat angles P-C4'-P energy: -62.320 tors. eta vs tors. theta energy: -119.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1384.862361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.862361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.862361 (E_RNA) where: Base-Base interactions energy: -976.736 where: short stacking energy: -385.064 Base-Backbone interact. energy: -0.701 local terms energy: -407.425496 where: bonds (distance) C4'-P energy: -74.869 bonds (distance) P-C4' energy: -78.471 flat angles C4'-P-C4' energy: -87.881 flat angles P-C4'-P energy: -63.334 tors. eta vs tors. theta energy: -102.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1326.476108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.476108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.476108 (E_RNA) where: Base-Base interactions energy: -935.955 where: short stacking energy: -398.362 Base-Backbone interact. energy: -3.815 local terms energy: -386.706773 where: bonds (distance) C4'-P energy: -74.927 bonds (distance) P-C4' energy: -70.371 flat angles C4'-P-C4' energy: -77.081 flat angles P-C4'-P energy: -53.978 tors. eta vs tors. theta energy: -110.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1247.911725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.911725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.911725 (E_RNA) where: Base-Base interactions energy: -867.331 where: short stacking energy: -358.739 Base-Backbone interact. energy: -1.035 local terms energy: -379.545890 where: bonds (distance) C4'-P energy: -77.771 bonds (distance) P-C4' energy: -78.590 flat angles C4'-P-C4' energy: -78.849 flat angles P-C4'-P energy: -53.926 tors. eta vs tors. theta energy: -90.410 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: 6 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1178.234103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.234103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.234103 (E_RNA) where: Base-Base interactions energy: -801.156 where: short stacking energy: -349.248 Base-Backbone interact. energy: -0.260 local terms energy: -376.818261 where: bonds (distance) C4'-P energy: -72.307 bonds (distance) P-C4' energy: -76.272 flat angles C4'-P-C4' energy: -75.102 flat angles P-C4'-P energy: -55.990 tors. eta vs tors. theta energy: -97.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1126.604768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.604768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.604768 (E_RNA) where: Base-Base interactions energy: -767.854 where: short stacking energy: -356.689 Base-Backbone interact. energy: 6.895 local terms energy: -365.645424 where: bonds (distance) C4'-P energy: -75.625 bonds (distance) P-C4' energy: -82.428 flat angles C4'-P-C4' energy: -62.686 flat angles P-C4'-P energy: -45.190 tors. eta vs tors. theta energy: -99.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1004.055034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.055034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.055034 (E_RNA) where: Base-Base interactions energy: -692.576 where: short stacking energy: -298.870 Base-Backbone interact. energy: 1.376 local terms energy: -312.854844 where: bonds (distance) C4'-P energy: -56.752 bonds (distance) P-C4' energy: -71.816 flat angles C4'-P-C4' energy: -69.986 flat angles P-C4'-P energy: -42.698 tors. eta vs tors. theta energy: -71.603 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: 5 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -836.431506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.431506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.431506 (E_RNA) where: Base-Base interactions energy: -565.482 where: short stacking energy: -245.452 Base-Backbone interact. energy: -1.029 local terms energy: -269.920315 where: bonds (distance) C4'-P energy: -60.164 bonds (distance) P-C4' energy: -68.409 flat angles C4'-P-C4' energy: -69.815 flat angles P-C4'-P energy: -45.311 tors. eta vs tors. theta energy: -26.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -610.610986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.610986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.610986 (E_RNA) where: Base-Base interactions energy: -349.265 where: short stacking energy: -183.581 Base-Backbone interact. energy: -0.972 local terms energy: -260.373524 where: bonds (distance) C4'-P energy: -69.239 bonds (distance) P-C4' energy: -77.558 flat angles C4'-P-C4' energy: -67.923 flat angles P-C4'-P energy: -22.882 tors. eta vs tors. theta energy: -22.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1524.331883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.331883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.331883 (E_RNA) where: Base-Base interactions energy: -1067.468 where: short stacking energy: -473.596 Base-Backbone interact. energy: -1.125 local terms energy: -455.738649 where: bonds (distance) C4'-P energy: -89.720 bonds (distance) P-C4' energy: -81.028 flat angles C4'-P-C4' energy: -91.884 flat angles P-C4'-P energy: -68.248 tors. eta vs tors. theta energy: -124.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1489.954933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.954933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.954933 (E_RNA) where: Base-Base interactions energy: -1056.080 where: short stacking energy: -428.013 Base-Backbone interact. energy: -2.159 local terms energy: -431.716498 where: bonds (distance) C4'-P energy: -82.507 bonds (distance) P-C4' energy: -80.316 flat angles C4'-P-C4' energy: -89.919 flat angles P-C4'-P energy: -62.131 tors. eta vs tors. theta energy: -116.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1421.994471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.994471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.994471 (E_RNA) where: Base-Base interactions energy: -993.567 where: short stacking energy: -407.439 Base-Backbone interact. energy: -4.562 local terms energy: -423.865555 where: bonds (distance) C4'-P energy: -83.720 bonds (distance) P-C4' energy: -80.950 flat angles C4'-P-C4' energy: -91.020 flat angles P-C4'-P energy: -61.351 tors. eta vs tors. theta energy: -106.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1357.284370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.284370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.284370 (E_RNA) where: Base-Base interactions energy: -921.166 where: short stacking energy: -390.126 Base-Backbone interact. energy: -0.974 local terms energy: -435.144647 where: bonds (distance) C4'-P energy: -77.648 bonds (distance) P-C4' energy: -91.523 flat angles C4'-P-C4' energy: -92.263 flat angles P-C4'-P energy: -57.941 tors. eta vs tors. theta energy: -115.770 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: 8 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1279.857371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.857371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.857371 (E_RNA) where: Base-Base interactions energy: -892.782 where: short stacking energy: -391.932 Base-Backbone interact. energy: -3.540 local terms energy: -383.535796 where: bonds (distance) C4'-P energy: -67.659 bonds (distance) P-C4' energy: -85.142 flat angles C4'-P-C4' energy: -71.039 flat angles P-C4'-P energy: -52.344 tors. eta vs tors. theta energy: -107.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1154.293358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.293358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.293358 (E_RNA) where: Base-Base interactions energy: -761.705 where: short stacking energy: -345.719 Base-Backbone interact. energy: 0.846 local terms energy: -393.434981 where: bonds (distance) C4'-P energy: -69.368 bonds (distance) P-C4' energy: -93.586 flat angles C4'-P-C4' energy: -86.088 flat angles P-C4'-P energy: -59.058 tors. eta vs tors. theta energy: -85.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1147.574740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.574740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.574740 (E_RNA) where: Base-Base interactions energy: -765.785 where: short stacking energy: -358.520 Base-Backbone interact. energy: -1.569 local terms energy: -380.220441 where: bonds (distance) C4'-P energy: -73.071 bonds (distance) P-C4' energy: -68.185 flat angles C4'-P-C4' energy: -74.775 flat angles P-C4'-P energy: -64.016 tors. eta vs tors. theta energy: -100.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -957.968643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.968643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.968643 (E_RNA) where: Base-Base interactions energy: -644.882 where: short stacking energy: -282.128 Base-Backbone interact. energy: 0.009 local terms energy: -313.096500 where: bonds (distance) C4'-P energy: -67.864 bonds (distance) P-C4' energy: -63.113 flat angles C4'-P-C4' energy: -73.766 flat angles P-C4'-P energy: -45.392 tors. eta vs tors. theta energy: -62.962 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: 5 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -825.515825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.515825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.515825 (E_RNA) where: Base-Base interactions energy: -549.721 where: short stacking energy: -230.005 Base-Backbone interact. energy: 0.615 local terms energy: -276.409914 where: bonds (distance) C4'-P energy: -57.432 bonds (distance) P-C4' energy: -71.992 flat angles C4'-P-C4' energy: -66.556 flat angles P-C4'-P energy: -44.917 tors. eta vs tors. theta energy: -35.512 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: 4 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -565.671299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.671299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.671299 (E_RNA) where: Base-Base interactions energy: -306.668 where: short stacking energy: -180.301 Base-Backbone interact. energy: -1.153 local terms energy: -257.850566 where: bonds (distance) C4'-P energy: -70.013 bonds (distance) P-C4' energy: -72.467 flat angles C4'-P-C4' energy: -56.058 flat angles P-C4'-P energy: -42.024 tors. eta vs tors. theta energy: -17.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1516.897814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.897814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.897814 (E_RNA) where: Base-Base interactions energy: -1054.462 where: short stacking energy: -474.178 Base-Backbone interact. energy: -4.634 local terms energy: -457.801935 where: bonds (distance) C4'-P energy: -79.949 bonds (distance) P-C4' energy: -90.603 flat angles C4'-P-C4' energy: -99.678 flat angles P-C4'-P energy: -55.056 tors. eta vs tors. theta energy: -132.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1506.165661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.165661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.165661 (E_RNA) where: Base-Base interactions energy: -1068.400 where: short stacking energy: -437.666 Base-Backbone interact. energy: -0.461 local terms energy: -437.304422 where: bonds (distance) C4'-P energy: -82.753 bonds (distance) P-C4' energy: -88.134 flat angles C4'-P-C4' energy: -91.237 flat angles P-C4'-P energy: -59.147 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: 3, replica: 1 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1382.156733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.156733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.156733 (E_RNA) where: Base-Base interactions energy: -980.056 where: short stacking energy: -395.577 Base-Backbone interact. energy: -1.574 local terms energy: -400.527116 where: bonds (distance) C4'-P energy: -74.073 bonds (distance) P-C4' energy: -81.468 flat angles C4'-P-C4' energy: -98.648 flat angles P-C4'-P energy: -53.518 tors. eta vs tors. theta energy: -92.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1367.429513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.429513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.429513 (E_RNA) where: Base-Base interactions energy: -954.647 where: short stacking energy: -392.835 Base-Backbone interact. energy: -4.008 local terms energy: -408.774955 where: bonds (distance) C4'-P energy: -81.538 bonds (distance) P-C4' energy: -75.518 flat angles C4'-P-C4' energy: -89.877 flat angles P-C4'-P energy: -53.219 tors. eta vs tors. theta energy: -108.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -1280.489932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.489932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.489932 (E_RNA) where: Base-Base interactions energy: -889.777 where: short stacking energy: -375.870 Base-Backbone interact. energy: 2.280 local terms energy: -392.992794 where: bonds (distance) C4'-P energy: -71.078 bonds (distance) P-C4' energy: -80.570 flat angles C4'-P-C4' energy: -84.472 flat angles P-C4'-P energy: -50.545 tors. eta vs tors. theta energy: -106.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1192.510534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.510534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.510534 (E_RNA) where: Base-Base interactions energy: -808.555 where: short stacking energy: -351.782 Base-Backbone interact. energy: -2.817 local terms energy: -381.138210 where: bonds (distance) C4'-P energy: -77.345 bonds (distance) P-C4' energy: -84.828 flat angles C4'-P-C4' energy: -77.824 flat angles P-C4'-P energy: -53.418 tors. eta vs tors. theta energy: -87.722 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: 7, replica: 6 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1108.759495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.759495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.759495 (E_RNA) where: Base-Base interactions energy: -764.651 where: short stacking energy: -329.197 Base-Backbone interact. energy: 3.229 local terms energy: -347.337941 where: bonds (distance) C4'-P energy: -64.136 bonds (distance) P-C4' energy: -69.447 flat angles C4'-P-C4' energy: -92.188 flat angles P-C4'-P energy: -46.230 tors. eta vs tors. theta energy: -75.337 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: 225 Temperature: 1.250000 Total energy: -1028.815651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.815651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.815651 (E_RNA) where: Base-Base interactions energy: -731.666 where: short stacking energy: -322.642 Base-Backbone interact. energy: -1.844 local terms energy: -295.306021 where: bonds (distance) C4'-P energy: -37.928 bonds (distance) P-C4' energy: -84.779 flat angles C4'-P-C4' energy: -66.298 flat angles P-C4'-P energy: -36.541 tors. eta vs tors. theta energy: -69.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -807.841832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.841832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.841832 (E_RNA) where: Base-Base interactions energy: -510.796 where: short stacking energy: -229.543 Base-Backbone interact. energy: -4.167 local terms energy: -292.878214 where: bonds (distance) C4'-P energy: -69.836 bonds (distance) P-C4' energy: -70.572 flat angles C4'-P-C4' energy: -66.748 flat angles P-C4'-P energy: -39.550 tors. eta vs tors. theta energy: -46.173 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: 4 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -536.036698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.036698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.036698 (E_RNA) where: Base-Base interactions energy: -306.275 where: short stacking energy: -167.650 Base-Backbone interact. energy: 1.164 local terms energy: -230.926056 where: bonds (distance) C4'-P energy: -76.229 bonds (distance) P-C4' energy: -65.151 flat angles C4'-P-C4' energy: -59.999 flat angles P-C4'-P energy: -19.057 tors. eta vs tors. theta energy: -10.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1520.251821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.251821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.251821 (E_RNA) where: Base-Base interactions energy: -1068.787 where: short stacking energy: -442.306 Base-Backbone interact. energy: -0.931 local terms energy: -450.533101 where: bonds (distance) C4'-P energy: -71.003 bonds (distance) P-C4' energy: -95.937 flat angles C4'-P-C4' energy: -95.274 flat angles P-C4'-P energy: -62.198 tors. eta vs tors. theta energy: -126.122 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: 2, replica: 2 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1517.541852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.541852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.541852 (E_RNA) where: Base-Base interactions energy: -1046.819 where: short stacking energy: -472.671 Base-Backbone interact. energy: -2.548 local terms energy: -468.174973 where: bonds (distance) C4'-P energy: -77.354 bonds (distance) P-C4' energy: -94.125 flat angles C4'-P-C4' energy: -98.533 flat angles P-C4'-P energy: -64.374 tors. eta vs tors. theta energy: -133.789 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: 1 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1410.919100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.919100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.919100 (E_RNA) where: Base-Base interactions energy: -989.559 where: short stacking energy: -408.555 Base-Backbone interact. energy: -2.597 local terms energy: -418.763362 where: bonds (distance) C4'-P energy: -77.617 bonds (distance) P-C4' energy: -86.559 flat angles C4'-P-C4' energy: -92.962 flat angles P-C4'-P energy: -47.882 tors. eta vs tors. theta energy: -113.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1351.556039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.556039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.556039 (E_RNA) where: Base-Base interactions energy: -949.505 where: short stacking energy: -386.345 Base-Backbone interact. energy: -1.564 local terms energy: -400.487105 where: bonds (distance) C4'-P energy: -65.255 bonds (distance) P-C4' energy: -80.106 flat angles C4'-P-C4' energy: -79.274 flat angles P-C4'-P energy: -61.216 tors. eta vs tors. theta energy: -114.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1313.434306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.434306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.434306 (E_RNA) where: Base-Base interactions energy: -915.470 where: short stacking energy: -387.087 Base-Backbone interact. energy: 0.127 local terms energy: -398.092001 where: bonds (distance) C4'-P energy: -79.972 bonds (distance) P-C4' energy: -67.343 flat angles C4'-P-C4' energy: -91.864 flat angles P-C4'-P energy: -48.667 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: 6, replica: 9 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1224.151683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.151683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.151683 (E_RNA) where: Base-Base interactions energy: -843.390 where: short stacking energy: -348.271 Base-Backbone interact. energy: -2.214 local terms energy: -378.547815 where: bonds (distance) C4'-P energy: -77.104 bonds (distance) P-C4' energy: -75.157 flat angles C4'-P-C4' energy: -79.257 flat angles P-C4'-P energy: -49.324 tors. eta vs tors. theta energy: -97.707 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: 6 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1060.068518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.068518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.068518 (E_RNA) where: Base-Base interactions energy: -729.920 where: short stacking energy: -313.065 Base-Backbone interact. energy: -1.657 local terms energy: -328.492057 where: bonds (distance) C4'-P energy: -65.645 bonds (distance) P-C4' energy: -80.734 flat angles C4'-P-C4' energy: -67.285 flat angles P-C4'-P energy: -39.237 tors. eta vs tors. theta energy: -75.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -961.513073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.513073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.513073 (E_RNA) where: Base-Base interactions energy: -623.400 where: short stacking energy: -295.754 Base-Backbone interact. energy: -2.055 local terms energy: -336.058645 where: bonds (distance) C4'-P energy: -64.249 bonds (distance) P-C4' energy: -67.933 flat angles C4'-P-C4' energy: -78.680 flat angles P-C4'-P energy: -51.649 tors. eta vs tors. theta energy: -73.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -846.198677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.198677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.198677 (E_RNA) where: Base-Base interactions energy: -565.625 where: short stacking energy: -253.700 Base-Backbone interact. energy: 1.686 local terms energy: -282.259667 where: bonds (distance) C4'-P energy: -69.377 bonds (distance) P-C4' energy: -74.645 flat angles C4'-P-C4' energy: -61.799 flat angles P-C4'-P energy: -32.124 tors. eta vs tors. theta energy: -44.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -542.140260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.140260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.140260 (E_RNA) where: Base-Base interactions energy: -298.500 where: short stacking energy: -160.316 Base-Backbone interact. energy: 2.024 local terms energy: -245.664401 where: bonds (distance) C4'-P energy: -69.387 bonds (distance) P-C4' energy: -58.128 flat angles C4'-P-C4' energy: -70.646 flat angles P-C4'-P energy: -37.045 tors. eta vs tors. theta energy: -10.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1527.938692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.938692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.938692 (E_RNA) where: Base-Base interactions energy: -1082.463 where: short stacking energy: -444.941 Base-Backbone interact. energy: 1.788 local terms energy: -447.264051 where: bonds (distance) C4'-P energy: -70.693 bonds (distance) P-C4' energy: -90.971 flat angles C4'-P-C4' energy: -87.658 flat angles P-C4'-P energy: -67.983 tors. eta vs tors. theta energy: -129.958 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: 2, replica: 2 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1493.433276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.433276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.433276 (E_RNA) where: Base-Base interactions energy: -1045.037 where: short stacking energy: -459.536 Base-Backbone interact. energy: -2.325 local terms energy: -446.071429 where: bonds (distance) C4'-P energy: -83.911 bonds (distance) P-C4' energy: -75.069 flat angles C4'-P-C4' energy: -97.139 flat angles P-C4'-P energy: -62.421 tors. eta vs tors. theta energy: -127.531 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: 1 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1372.653175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.653175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.653175 (E_RNA) where: Base-Base interactions energy: -973.062 where: short stacking energy: -400.847 Base-Backbone interact. energy: -5.592 local terms energy: -393.999179 where: bonds (distance) C4'-P energy: -78.044 bonds (distance) P-C4' energy: -81.988 flat angles C4'-P-C4' energy: -77.710 flat angles P-C4'-P energy: -55.327 tors. eta vs tors. theta energy: -100.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1366.519992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.519992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.519992 (E_RNA) where: Base-Base interactions energy: -962.186 where: short stacking energy: -422.860 Base-Backbone interact. energy: 0.014 local terms energy: -404.347383 where: bonds (distance) C4'-P energy: -88.840 bonds (distance) P-C4' energy: -64.223 flat angles C4'-P-C4' energy: -74.588 flat angles P-C4'-P energy: -59.611 tors. eta vs tors. theta energy: -117.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1332.918876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.918876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.918876 (E_RNA) where: Base-Base interactions energy: -926.857 where: short stacking energy: -374.584 Base-Backbone interact. energy: -2.299 local terms energy: -403.763404 where: bonds (distance) C4'-P energy: -75.741 bonds (distance) P-C4' energy: -80.773 flat angles C4'-P-C4' energy: -83.810 flat angles P-C4'-P energy: -60.644 tors. eta vs tors. theta energy: -102.796 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: 9 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1205.166985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.166985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.166985 (E_RNA) where: Base-Base interactions energy: -810.508 where: short stacking energy: -355.570 Base-Backbone interact. energy: -1.629 local terms energy: -393.030040 where: bonds (distance) C4'-P energy: -71.436 bonds (distance) P-C4' energy: -77.474 flat angles C4'-P-C4' energy: -85.958 flat angles P-C4'-P energy: -57.548 tors. eta vs tors. theta energy: -100.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1113.989888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.989888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.989888 (E_RNA) where: Base-Base interactions energy: -765.955 where: short stacking energy: -319.660 Base-Backbone interact. energy: -1.875 local terms energy: -346.159753 where: bonds (distance) C4'-P energy: -66.157 bonds (distance) P-C4' energy: -82.139 flat angles C4'-P-C4' energy: -66.967 flat angles P-C4'-P energy: -48.544 tors. eta vs tors. theta energy: -82.353 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: 8, replica: 7 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -990.762325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.762325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.762325 (E_RNA) where: Base-Base interactions energy: -684.278 where: short stacking energy: -302.282 Base-Backbone interact. energy: 2.884 local terms energy: -309.368114 where: bonds (distance) C4'-P energy: -49.499 bonds (distance) P-C4' energy: -68.669 flat angles C4'-P-C4' energy: -67.348 flat angles P-C4'-P energy: -49.010 tors. eta vs tors. theta energy: -74.842 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: 5 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -860.055962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.055962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.055962 (E_RNA) where: Base-Base interactions energy: -558.901 where: short stacking energy: -232.992 Base-Backbone interact. energy: -2.459 local terms energy: -298.696378 where: bonds (distance) C4'-P energy: -67.446 bonds (distance) P-C4' energy: -74.703 flat angles C4'-P-C4' energy: -72.653 flat angles P-C4'-P energy: -42.755 tors. eta vs tors. theta energy: -41.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -556.098730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.098730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.098730 (E_RNA) where: Base-Base interactions energy: -314.388 where: short stacking energy: -161.629 Base-Backbone interact. energy: 5.019 local terms energy: -246.729794 where: bonds (distance) C4'-P energy: -68.027 bonds (distance) P-C4' energy: -65.839 flat angles C4'-P-C4' energy: -69.955 flat angles P-C4'-P energy: -33.074 tors. eta vs tors. theta energy: -9.835 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: 3 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1522.614123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.614123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.614123 (E_RNA) where: Base-Base interactions energy: -1076.729 where: short stacking energy: -459.228 Base-Backbone interact. energy: -0.016 local terms energy: -445.869348 where: bonds (distance) C4'-P energy: -82.868 bonds (distance) P-C4' energy: -81.464 flat angles C4'-P-C4' energy: -92.625 flat angles P-C4'-P energy: -67.439 tors. eta vs tors. theta energy: -121.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1506.891405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.891405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.891405 (E_RNA) where: Base-Base interactions energy: -1060.825 where: short stacking energy: -475.556 Base-Backbone interact. energy: 1.694 local terms energy: -447.760889 where: bonds (distance) C4'-P energy: -86.705 bonds (distance) P-C4' energy: -79.255 flat angles C4'-P-C4' energy: -93.464 flat angles P-C4'-P energy: -59.352 tors. eta vs tors. theta energy: -128.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1395.034174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.034174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.034174 (E_RNA) where: Base-Base interactions energy: -969.662 where: short stacking energy: -411.161 Base-Backbone interact. energy: -1.919 local terms energy: -423.452644 where: bonds (distance) C4'-P energy: -74.789 bonds (distance) P-C4' energy: -83.186 flat angles C4'-P-C4' energy: -86.599 flat angles P-C4'-P energy: -67.557 tors. eta vs tors. theta energy: -111.322 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: 4, replica: 1 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1348.258554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.258554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.258554 (E_RNA) where: Base-Base interactions energy: -987.714 where: short stacking energy: -395.903 Base-Backbone interact. energy: -3.470 local terms energy: -357.074467 where: bonds (distance) C4'-P energy: -57.068 bonds (distance) P-C4' energy: -71.757 flat angles C4'-P-C4' energy: -85.162 flat angles P-C4'-P energy: -48.560 tors. eta vs tors. theta energy: -94.526 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: 8 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -1318.855072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.855072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.855072 (E_RNA) where: Base-Base interactions energy: -932.938 where: short stacking energy: -404.687 Base-Backbone interact. energy: -0.492 local terms energy: -385.425088 where: bonds (distance) C4'-P energy: -77.159 bonds (distance) P-C4' energy: -75.577 flat angles C4'-P-C4' energy: -87.485 flat angles P-C4'-P energy: -40.896 tors. eta vs tors. theta energy: -104.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -1194.791603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.791603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.791603 (E_RNA) where: Base-Base interactions energy: -812.127 where: short stacking energy: -358.094 Base-Backbone interact. energy: 1.418 local terms energy: -384.082236 where: bonds (distance) C4'-P energy: -76.790 bonds (distance) P-C4' energy: -77.500 flat angles C4'-P-C4' energy: -75.815 flat angles P-C4'-P energy: -59.528 tors. eta vs tors. theta energy: -94.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1144.309547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.309547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.309547 (E_RNA) where: Base-Base interactions energy: -774.292 where: short stacking energy: -344.820 Base-Backbone interact. energy: 0.558 local terms energy: -370.575741 where: bonds (distance) C4'-P energy: -64.309 bonds (distance) P-C4' energy: -82.264 flat angles C4'-P-C4' energy: -82.428 flat angles P-C4'-P energy: -45.947 tors. eta vs tors. theta energy: -95.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -993.298676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.298676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.298676 (E_RNA) where: Base-Base interactions energy: -661.006 where: short stacking energy: -288.358 Base-Backbone interact. energy: 3.573 local terms energy: -335.865415 where: bonds (distance) C4'-P energy: -58.903 bonds (distance) P-C4' energy: -79.492 flat angles C4'-P-C4' energy: -81.379 flat angles P-C4'-P energy: -53.347 tors. eta vs tors. theta energy: -62.744 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: 5 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -808.835698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.835698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.835698 (E_RNA) where: Base-Base interactions energy: -505.496 where: short stacking energy: -252.400 Base-Backbone interact. energy: -1.364 local terms energy: -301.975635 where: bonds (distance) C4'-P energy: -61.565 bonds (distance) P-C4' energy: -76.239 flat angles C4'-P-C4' energy: -84.103 flat angles P-C4'-P energy: -35.110 tors. eta vs tors. theta energy: -44.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -550.315425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.315425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.315425 (E_RNA) where: Base-Base interactions energy: -314.036 where: short stacking energy: -159.416 Base-Backbone interact. energy: -0.546 local terms energy: -235.733557 where: bonds (distance) C4'-P energy: -63.903 bonds (distance) P-C4' energy: -66.594 flat angles C4'-P-C4' energy: -63.459 flat angles P-C4'-P energy: -22.513 tors. eta vs tors. theta energy: -19.264 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: 3 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1537.282851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.282851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.282851 (E_RNA) where: Base-Base interactions energy: -1073.231 where: short stacking energy: -464.689 Base-Backbone interact. energy: -2.736 local terms energy: -461.315677 where: bonds (distance) C4'-P energy: -96.813 bonds (distance) P-C4' energy: -86.020 flat angles C4'-P-C4' energy: -94.200 flat angles P-C4'-P energy: -52.032 tors. eta vs tors. theta energy: -132.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1485.399394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.399394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.399394 (E_RNA) where: Base-Base interactions energy: -1021.162 where: short stacking energy: -459.840 Base-Backbone interact. energy: 0.402 local terms energy: -464.639307 where: bonds (distance) C4'-P energy: -84.134 bonds (distance) P-C4' energy: -84.707 flat angles C4'-P-C4' energy: -96.509 flat angles P-C4'-P energy: -64.538 tors. eta vs tors. theta energy: -134.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1380.902459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.902459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.902459 (E_RNA) where: Base-Base interactions energy: -956.192 where: short stacking energy: -391.984 Base-Backbone interact. energy: -1.356 local terms energy: -423.355266 where: bonds (distance) C4'-P energy: -78.162 bonds (distance) P-C4' energy: -87.024 flat angles C4'-P-C4' energy: -91.697 flat angles P-C4'-P energy: -67.296 tors. eta vs tors. theta energy: -99.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1380.701959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.701959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.701959 (E_RNA) where: Base-Base interactions energy: -966.628 where: short stacking energy: -377.162 Base-Backbone interact. energy: 0.141 local terms energy: -414.215241 where: bonds (distance) C4'-P energy: -80.834 bonds (distance) P-C4' energy: -87.407 flat angles C4'-P-C4' energy: -94.721 flat angles P-C4'-P energy: -54.312 tors. eta vs tors. theta energy: -96.941 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: 8 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -1321.238527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.238527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.238527 (E_RNA) where: Base-Base interactions energy: -917.532 where: short stacking energy: -396.804 Base-Backbone interact. energy: -0.472 local terms energy: -403.234559 where: bonds (distance) C4'-P energy: -79.108 bonds (distance) P-C4' energy: -66.506 flat angles C4'-P-C4' energy: -87.801 flat angles P-C4'-P energy: -62.155 tors. eta vs tors. theta energy: -107.665 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: 9 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1178.528858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.528858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.528858 (E_RNA) where: Base-Base interactions energy: -794.754 where: short stacking energy: -376.776 Base-Backbone interact. energy: -1.611 local terms energy: -382.163565 where: bonds (distance) C4'-P energy: -83.614 bonds (distance) P-C4' energy: -71.633 flat angles C4'-P-C4' energy: -75.543 flat angles P-C4'-P energy: -53.103 tors. eta vs tors. theta energy: -98.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1150.684582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.684582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.684582 (E_RNA) where: Base-Base interactions energy: -780.743 where: short stacking energy: -337.720 Base-Backbone interact. energy: 0.439 local terms energy: -370.380089 where: bonds (distance) C4'-P energy: -75.329 bonds (distance) P-C4' energy: -69.253 flat angles C4'-P-C4' energy: -80.112 flat angles P-C4'-P energy: -50.389 tors. eta vs tors. theta energy: -95.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1006.124316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.124316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.124316 (E_RNA) where: Base-Base interactions energy: -692.879 where: short stacking energy: -309.272 Base-Backbone interact. energy: -2.697 local terms energy: -310.548822 where: bonds (distance) C4'-P energy: -55.756 bonds (distance) P-C4' energy: -70.243 flat angles C4'-P-C4' energy: -66.216 flat angles P-C4'-P energy: -52.139 tors. eta vs tors. theta energy: -66.194 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: 9, replica: 5 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -834.348653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.348653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.348653 (E_RNA) where: Base-Base interactions energy: -527.067 where: short stacking energy: -246.618 Base-Backbone interact. energy: -1.189 local terms energy: -306.092082 where: bonds (distance) C4'-P energy: -73.829 bonds (distance) P-C4' energy: -68.085 flat angles C4'-P-C4' energy: -69.921 flat angles P-C4'-P energy: -45.366 tors. eta vs tors. theta energy: -48.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -611.250163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.250163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.250163 (E_RNA) where: Base-Base interactions energy: -337.003 where: short stacking energy: -184.825 Base-Backbone interact. energy: -1.420 local terms energy: -272.826296 where: bonds (distance) C4'-P energy: -55.569 bonds (distance) P-C4' energy: -71.312 flat angles C4'-P-C4' energy: -79.252 flat angles P-C4'-P energy: -42.044 tors. eta vs tors. theta energy: -24.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1539.729905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.729905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.729905 (E_RNA) where: Base-Base interactions energy: -1072.997 where: short stacking energy: -472.270 Base-Backbone interact. energy: -4.130 local terms energy: -462.602983 where: bonds (distance) C4'-P energy: -88.320 bonds (distance) P-C4' energy: -80.921 flat angles C4'-P-C4' energy: -95.773 flat angles P-C4'-P energy: -69.036 tors. eta vs tors. theta energy: -128.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1485.336593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.336593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.336593 (E_RNA) where: Base-Base interactions energy: -1029.547 where: short stacking energy: -455.170 Base-Backbone interact. energy: -1.913 local terms energy: -453.875628 where: bonds (distance) C4'-P energy: -77.325 bonds (distance) P-C4' energy: -79.251 flat angles C4'-P-C4' energy: -95.790 flat angles P-C4'-P energy: -67.322 tors. eta vs tors. theta energy: -134.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1372.949815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.949815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.949815 (E_RNA) where: Base-Base interactions energy: -978.450 where: short stacking energy: -387.107 Base-Backbone interact. energy: -2.088 local terms energy: -392.411812 where: bonds (distance) C4'-P energy: -79.957 bonds (distance) P-C4' energy: -85.950 flat angles C4'-P-C4' energy: -74.396 flat angles P-C4'-P energy: -58.744 tors. eta vs tors. theta energy: -93.365 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: 4, replica: 10 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1341.796606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.796606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.796606 (E_RNA) where: Base-Base interactions energy: -919.671 where: short stacking energy: -386.511 Base-Backbone interact. energy: 0.008 local terms energy: -422.133839 where: bonds (distance) C4'-P energy: -77.341 bonds (distance) P-C4' energy: -89.504 flat angles C4'-P-C4' energy: -76.138 flat angles P-C4'-P energy: -59.579 tors. eta vs tors. theta energy: -119.571 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: 8 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1339.620249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.620249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.620249 (E_RNA) where: Base-Base interactions energy: -929.930 where: short stacking energy: -413.887 Base-Backbone interact. energy: -1.295 local terms energy: -408.395614 where: bonds (distance) C4'-P energy: -66.771 bonds (distance) P-C4' energy: -79.448 flat angles C4'-P-C4' energy: -89.572 flat angles P-C4'-P energy: -60.638 tors. eta vs tors. theta energy: -111.966 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: 9 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1171.223210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.223210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.223210 (E_RNA) where: Base-Base interactions energy: -805.586 where: short stacking energy: -355.903 Base-Backbone interact. energy: -4.771 local terms energy: -360.866516 where: bonds (distance) C4'-P energy: -59.831 bonds (distance) P-C4' energy: -74.323 flat angles C4'-P-C4' energy: -81.188 flat angles P-C4'-P energy: -49.868 tors. eta vs tors. theta energy: -95.656 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: 6 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1118.946123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.946123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.946123 (E_RNA) where: Base-Base interactions energy: -760.757 where: short stacking energy: -336.167 Base-Backbone interact. energy: 2.047 local terms energy: -360.235647 where: bonds (distance) C4'-P energy: -75.792 bonds (distance) P-C4' energy: -80.991 flat angles C4'-P-C4' energy: -83.847 flat angles P-C4'-P energy: -48.004 tors. eta vs tors. theta energy: -71.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1058.983571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.983571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.983571 (E_RNA) where: Base-Base interactions energy: -722.733 where: short stacking energy: -320.508 Base-Backbone interact. energy: 0.120 local terms energy: -336.370173 where: bonds (distance) C4'-P energy: -59.666 bonds (distance) P-C4' energy: -66.200 flat angles C4'-P-C4' energy: -84.348 flat angles P-C4'-P energy: -51.201 tors. eta vs tors. theta energy: -74.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -828.538686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.538686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.538686 (E_RNA) where: Base-Base interactions energy: -528.088 where: short stacking energy: -242.554 Base-Backbone interact. energy: -0.715 local terms energy: -299.735708 where: bonds (distance) C4'-P energy: -67.327 bonds (distance) P-C4' energy: -78.206 flat angles C4'-P-C4' energy: -76.444 flat angles P-C4'-P energy: -37.409 tors. eta vs tors. theta energy: -40.350 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: 4 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -568.689424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.689424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.689424 (E_RNA) where: Base-Base interactions energy: -325.052 where: short stacking energy: -151.283 Base-Backbone interact. energy: 1.531 local terms energy: -245.168921 where: bonds (distance) C4'-P energy: -74.795 bonds (distance) P-C4' energy: -60.446 flat angles C4'-P-C4' energy: -79.714 flat angles P-C4'-P energy: -23.533 tors. eta vs tors. theta energy: -6.682 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: 1, replica: 3 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1521.608921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.608921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.608921 (E_RNA) where: Base-Base interactions energy: -1069.809 where: short stacking energy: -470.111 Base-Backbone interact. energy: -2.894 local terms energy: -448.906581 where: bonds (distance) C4'-P energy: -88.272 bonds (distance) P-C4' energy: -75.083 flat angles C4'-P-C4' energy: -91.668 flat angles P-C4'-P energy: -68.929 tors. eta vs tors. theta energy: -124.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1493.491031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.491031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.491031 (E_RNA) where: Base-Base interactions energy: -1043.186 where: short stacking energy: -475.716 Base-Backbone interact. energy: -1.547 local terms energy: -448.758033 where: bonds (distance) C4'-P energy: -80.826 bonds (distance) P-C4' energy: -77.713 flat angles C4'-P-C4' energy: -99.441 flat angles P-C4'-P energy: -61.843 tors. eta vs tors. theta energy: -128.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1393.741825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.741825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.741825 (E_RNA) where: Base-Base interactions energy: -972.074 where: short stacking energy: -391.253 Base-Backbone interact. energy: -2.601 local terms energy: -419.066855 where: bonds (distance) C4'-P energy: -80.011 bonds (distance) P-C4' energy: -87.332 flat angles C4'-P-C4' energy: -90.707 flat angles P-C4'-P energy: -56.387 tors. eta vs tors. theta energy: -104.630 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: 8 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1368.626875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.626875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.626875 (E_RNA) where: Base-Base interactions energy: -950.269 where: short stacking energy: -422.522 Base-Backbone interact. energy: -1.919 local terms energy: -416.438911 where: bonds (distance) C4'-P energy: -78.027 bonds (distance) P-C4' energy: -79.156 flat angles C4'-P-C4' energy: -88.900 flat angles P-C4'-P energy: -59.450 tors. eta vs tors. theta energy: -110.906 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: 10 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -1285.639433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.639433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.639433 (E_RNA) where: Base-Base interactions energy: -900.015 where: short stacking energy: -384.408 Base-Backbone interact. energy: 1.164 local terms energy: -386.788825 where: bonds (distance) C4'-P energy: -68.587 bonds (distance) P-C4' energy: -75.155 flat angles C4'-P-C4' energy: -94.302 flat angles P-C4'-P energy: -50.919 tors. eta vs tors. theta energy: -97.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1221.341880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.341880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.341880 (E_RNA) where: Base-Base interactions energy: -856.182 where: short stacking energy: -352.198 Base-Backbone interact. energy: -1.039 local terms energy: -364.120569 where: bonds (distance) C4'-P energy: -73.414 bonds (distance) P-C4' energy: -80.842 flat angles C4'-P-C4' energy: -76.742 flat angles P-C4'-P energy: -46.938 tors. eta vs tors. theta energy: -86.183 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: 7, replica: 9 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1113.897669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.897669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.897669 (E_RNA) where: Base-Base interactions energy: -762.607 where: short stacking energy: -329.035 Base-Backbone interact. energy: -2.133 local terms energy: -349.157904 where: bonds (distance) C4'-P energy: -69.429 bonds (distance) P-C4' energy: -69.118 flat angles C4'-P-C4' energy: -71.413 flat angles P-C4'-P energy: -52.280 tors. eta vs tors. theta energy: -86.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1000.140438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.140438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.140438 (E_RNA) where: Base-Base interactions energy: -658.442 where: short stacking energy: -297.349 Base-Backbone interact. energy: 0.715 local terms energy: -342.412647 where: bonds (distance) C4'-P energy: -65.756 bonds (distance) P-C4' energy: -81.182 flat angles C4'-P-C4' energy: -78.874 flat angles P-C4'-P energy: -50.487 tors. eta vs tors. theta energy: -66.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -797.867440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.867440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.867440 (E_RNA) where: Base-Base interactions energy: -495.775 where: short stacking energy: -232.988 Base-Backbone interact. energy: -0.907 local terms energy: -301.186174 where: bonds (distance) C4'-P energy: -66.912 bonds (distance) P-C4' energy: -85.019 flat angles C4'-P-C4' energy: -81.514 flat angles P-C4'-P energy: -32.056 tors. eta vs tors. theta energy: -35.686 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: 4 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -582.543705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.543705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.543705 (E_RNA) where: Base-Base interactions energy: -330.376 where: short stacking energy: -181.322 Base-Backbone interact. energy: 0.402 local terms energy: -252.569441 where: bonds (distance) C4'-P energy: -66.705 bonds (distance) P-C4' energy: -60.520 flat angles C4'-P-C4' energy: -64.882 flat angles P-C4'-P energy: -40.884 tors. eta vs tors. theta energy: -19.578 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: 3 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1526.720340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.720340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.720340 (E_RNA) where: Base-Base interactions energy: -1069.613 where: short stacking energy: -454.013 Base-Backbone interact. energy: 0.152 local terms energy: -457.259321 where: bonds (distance) C4'-P energy: -86.187 bonds (distance) P-C4' energy: -84.558 flat angles C4'-P-C4' energy: -98.458 flat angles P-C4'-P energy: -55.251 tors. eta vs tors. theta energy: -132.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1477.562302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.562302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.562302 (E_RNA) where: Base-Base interactions energy: -1029.981 where: short stacking energy: -452.342 Base-Backbone interact. energy: -2.380 local terms energy: -445.200960 where: bonds (distance) C4'-P energy: -80.597 bonds (distance) P-C4' energy: -79.875 flat angles C4'-P-C4' energy: -97.740 flat angles P-C4'-P energy: -69.673 tors. eta vs tors. theta energy: -117.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1387.968120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.968120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.968120 (E_RNA) where: Base-Base interactions energy: -985.375 where: short stacking energy: -407.318 Base-Backbone interact. energy: -2.795 local terms energy: -399.797704 where: bonds (distance) C4'-P energy: -64.713 bonds (distance) P-C4' energy: -76.867 flat angles C4'-P-C4' energy: -90.680 flat angles P-C4'-P energy: -64.019 tors. eta vs tors. theta energy: -103.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1357.985836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.985836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.985836 (E_RNA) where: Base-Base interactions energy: -944.265 where: short stacking energy: -402.124 Base-Backbone interact. energy: -0.914 local terms energy: -412.807320 where: bonds (distance) C4'-P energy: -77.114 bonds (distance) P-C4' energy: -68.803 flat angles C4'-P-C4' energy: -96.582 flat angles P-C4'-P energy: -60.294 tors. eta vs tors. theta energy: -110.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -1279.121653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.121653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.121653 (E_RNA) where: Base-Base interactions energy: -877.077 where: short stacking energy: -393.150 Base-Backbone interact. energy: -1.521 local terms energy: -400.523977 where: bonds (distance) C4'-P energy: -71.031 bonds (distance) P-C4' energy: -79.423 flat angles C4'-P-C4' energy: -93.937 flat angles P-C4'-P energy: -53.692 tors. eta vs tors. theta energy: -102.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1223.794742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.794742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.794742 (E_RNA) where: Base-Base interactions energy: -842.583 where: short stacking energy: -370.693 Base-Backbone interact. energy: -1.208 local terms energy: -380.003499 where: bonds (distance) C4'-P energy: -78.464 bonds (distance) P-C4' energy: -77.620 flat angles C4'-P-C4' energy: -81.600 flat angles P-C4'-P energy: -45.176 tors. eta vs tors. theta energy: -97.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1101.104651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.104651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.104651 (E_RNA) where: Base-Base interactions energy: -750.594 where: short stacking energy: -331.589 Base-Backbone interact. energy: 1.423 local terms energy: -351.934263 where: bonds (distance) C4'-P energy: -61.343 bonds (distance) P-C4' energy: -78.092 flat angles C4'-P-C4' energy: -79.621 flat angles P-C4'-P energy: -47.965 tors. eta vs tors. theta energy: -84.913 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: 8, replica: 7 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -976.637660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.637660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.637660 (E_RNA) where: Base-Base interactions energy: -662.034 where: short stacking energy: -309.869 Base-Backbone interact. energy: -0.610 local terms energy: -313.993433 where: bonds (distance) C4'-P energy: -57.784 bonds (distance) P-C4' energy: -71.616 flat angles C4'-P-C4' energy: -69.243 flat angles P-C4'-P energy: -41.863 tors. eta vs tors. theta energy: -73.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -831.673874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.673874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.673874 (E_RNA) where: Base-Base interactions energy: -566.617 where: short stacking energy: -278.546 Base-Backbone interact. energy: -0.745 local terms energy: -264.311817 where: bonds (distance) C4'-P energy: -62.374 bonds (distance) P-C4' energy: -64.273 flat angles C4'-P-C4' energy: -59.788 flat angles P-C4'-P energy: -23.290 tors. eta vs tors. theta energy: -54.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -624.498910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.498910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.498910 (E_RNA) where: Base-Base interactions energy: -364.304 where: short stacking energy: -213.480 Base-Backbone interact. energy: -0.985 local terms energy: -259.209610 where: bonds (distance) C4'-P energy: -68.175 bonds (distance) P-C4' energy: -66.153 flat angles C4'-P-C4' energy: -67.814 flat angles P-C4'-P energy: -34.260 tors. eta vs tors. theta energy: -22.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1542.544904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.544904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.544904 (E_RNA) where: Base-Base interactions energy: -1090.197 where: short stacking energy: -469.505 Base-Backbone interact. energy: -0.785 local terms energy: -451.562198 where: bonds (distance) C4'-P energy: -79.013 bonds (distance) P-C4' energy: -89.922 flat angles C4'-P-C4' energy: -98.625 flat angles P-C4'-P energy: -56.914 tors. eta vs tors. theta energy: -127.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1483.530533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.530533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.530533 (E_RNA) where: Base-Base interactions energy: -1042.945 where: short stacking energy: -451.569 Base-Backbone interact. energy: -0.824 local terms energy: -439.761078 where: bonds (distance) C4'-P energy: -70.499 bonds (distance) P-C4' energy: -88.447 flat angles C4'-P-C4' energy: -92.508 flat angles P-C4'-P energy: -63.753 tors. eta vs tors. theta energy: -124.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1379.578248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.578248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.578248 (E_RNA) where: Base-Base interactions energy: -970.467 where: short stacking energy: -389.951 Base-Backbone interact. energy: -1.742 local terms energy: -407.368978 where: bonds (distance) C4'-P energy: -76.024 bonds (distance) P-C4' energy: -75.874 flat angles C4'-P-C4' energy: -96.401 flat angles P-C4'-P energy: -54.696 tors. eta vs tors. theta energy: -104.373 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: 4, replica: 8 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1326.764525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.764525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.764525 (E_RNA) where: Base-Base interactions energy: -930.917 where: short stacking energy: -414.373 Base-Backbone interact. energy: 1.300 local terms energy: -397.147367 where: bonds (distance) C4'-P energy: -81.270 bonds (distance) P-C4' energy: -73.186 flat angles C4'-P-C4' energy: -79.359 flat angles P-C4'-P energy: -54.919 tors. eta vs tors. theta energy: -108.413 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: 5, replica: 6 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1258.198186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.198186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.198186 (E_RNA) where: Base-Base interactions energy: -847.753 where: short stacking energy: -380.264 Base-Backbone interact. energy: -2.637 local terms energy: -407.807810 where: bonds (distance) C4'-P energy: -67.413 bonds (distance) P-C4' energy: -86.616 flat angles C4'-P-C4' energy: -85.007 flat angles P-C4'-P energy: -64.966 tors. eta vs tors. theta energy: -103.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1215.598780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.598780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.598780 (E_RNA) where: Base-Base interactions energy: -835.361 where: short stacking energy: -395.204 Base-Backbone interact. energy: -0.519 local terms energy: -379.718680 where: bonds (distance) C4'-P energy: -71.096 bonds (distance) P-C4' energy: -76.773 flat angles C4'-P-C4' energy: -80.974 flat angles P-C4'-P energy: -45.147 tors. eta vs tors. theta energy: -105.729 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: 9 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1097.911301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.911301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.911301 (E_RNA) where: Base-Base interactions energy: -750.669 where: short stacking energy: -326.998 Base-Backbone interact. energy: -0.543 local terms energy: -346.698826 where: bonds (distance) C4'-P energy: -73.144 bonds (distance) P-C4' energy: -71.866 flat angles C4'-P-C4' energy: -80.335 flat angles P-C4'-P energy: -46.773 tors. eta vs tors. theta energy: -74.580 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: 7 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1012.226967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.226967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.226967 (E_RNA) where: Base-Base interactions energy: -679.729 where: short stacking energy: -308.102 Base-Backbone interact. energy: -0.696 local terms energy: -331.802190 where: bonds (distance) C4'-P energy: -68.660 bonds (distance) P-C4' energy: -74.188 flat angles C4'-P-C4' energy: -78.626 flat angles P-C4'-P energy: -36.563 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: 9, replica: 5 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -859.670439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.670439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.670439 (E_RNA) where: Base-Base interactions energy: -582.897 where: short stacking energy: -272.191 Base-Backbone interact. energy: -1.373 local terms energy: -275.399977 where: bonds (distance) C4'-P energy: -50.431 bonds (distance) P-C4' energy: -61.535 flat angles C4'-P-C4' energy: -70.582 flat angles P-C4'-P energy: -36.159 tors. eta vs tors. theta energy: -56.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -527.913083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.913083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.913083 (E_RNA) where: Base-Base interactions energy: -283.604 where: short stacking energy: -155.677 Base-Backbone interact. energy: 0.748 local terms energy: -245.057457 where: bonds (distance) C4'-P energy: -63.440 bonds (distance) P-C4' energy: -68.051 flat angles C4'-P-C4' energy: -52.152 flat angles P-C4'-P energy: -42.291 tors. eta vs tors. theta energy: -19.124 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: 3 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1554.641764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.641764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.641764 (E_RNA) where: Base-Base interactions energy: -1089.603 where: short stacking energy: -468.143 Base-Backbone interact. energy: -2.665 local terms energy: -462.374621 where: bonds (distance) C4'-P energy: -80.650 bonds (distance) P-C4' energy: -95.334 flat angles C4'-P-C4' energy: -95.339 flat angles P-C4'-P energy: -69.489 tors. eta vs tors. theta energy: -121.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1502.182412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.182412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.182412 (E_RNA) where: Base-Base interactions energy: -1040.522 where: short stacking energy: -458.139 Base-Backbone interact. energy: -1.355 local terms energy: -460.305475 where: bonds (distance) C4'-P energy: -77.360 bonds (distance) P-C4' energy: -84.667 flat angles C4'-P-C4' energy: -104.083 flat angles P-C4'-P energy: -67.973 tors. eta vs tors. theta energy: -126.222 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: 234 Temperature: 1.000000 Total energy: -1359.872621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.872621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.872621 (E_RNA) where: Base-Base interactions energy: -945.065 where: short stacking energy: -386.240 Base-Backbone interact. energy: -2.338 local terms energy: -412.469332 where: bonds (distance) C4'-P energy: -70.143 bonds (distance) P-C4' energy: -85.208 flat angles C4'-P-C4' energy: -95.089 flat angles P-C4'-P energy: -57.281 tors. eta vs tors. theta energy: -104.748 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: 8 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1357.606339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.606339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.606339 (E_RNA) where: Base-Base interactions energy: -934.064 where: short stacking energy: -390.819 Base-Backbone interact. energy: -1.529 local terms energy: -422.013798 where: bonds (distance) C4'-P energy: -80.955 bonds (distance) P-C4' energy: -89.657 flat angles C4'-P-C4' energy: -85.543 flat angles P-C4'-P energy: -61.250 tors. eta vs tors. theta energy: -104.609 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: 5, replica: 10 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -1304.725779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.725779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.725779 (E_RNA) where: Base-Base interactions energy: -894.986 where: short stacking energy: -368.211 Base-Backbone interact. energy: -3.299 local terms energy: -406.440483 where: bonds (distance) C4'-P energy: -76.364 bonds (distance) P-C4' energy: -76.394 flat angles C4'-P-C4' energy: -87.348 flat angles P-C4'-P energy: -55.878 tors. eta vs tors. theta energy: -110.457 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: 6 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1174.446536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.446536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.446536 (E_RNA) where: Base-Base interactions energy: -802.953 where: short stacking energy: -358.559 Base-Backbone interact. energy: -2.272 local terms energy: -369.221895 where: bonds (distance) C4'-P energy: -70.200 bonds (distance) P-C4' energy: -85.571 flat angles C4'-P-C4' energy: -78.128 flat angles P-C4'-P energy: -42.732 tors. eta vs tors. theta energy: -92.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1087.944893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.944893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.944893 (E_RNA) where: Base-Base interactions energy: -752.221 where: short stacking energy: -311.677 Base-Backbone interact. energy: -1.707 local terms energy: -334.017705 where: bonds (distance) C4'-P energy: -61.270 bonds (distance) P-C4' energy: -82.949 flat angles C4'-P-C4' energy: -79.610 flat angles P-C4'-P energy: -34.015 tors. eta vs tors. theta energy: -76.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1012.611549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.611549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.611549 (E_RNA) where: Base-Base interactions energy: -681.714 where: short stacking energy: -297.773 Base-Backbone interact. energy: -0.230 local terms energy: -330.666980 where: bonds (distance) C4'-P energy: -63.342 bonds (distance) P-C4' energy: -70.362 flat angles C4'-P-C4' energy: -77.107 flat angles P-C4'-P energy: -34.659 tors. eta vs tors. theta energy: -85.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -836.685883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.685883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.685883 (E_RNA) where: Base-Base interactions energy: -544.535 where: short stacking energy: -251.664 Base-Backbone interact. energy: 4.644 local terms energy: -296.794894 where: bonds (distance) C4'-P energy: -80.649 bonds (distance) P-C4' energy: -66.696 flat angles C4'-P-C4' energy: -62.396 flat angles P-C4'-P energy: -37.728 tors. eta vs tors. theta energy: -49.326 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: 4 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -570.169918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.169918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.169918 (E_RNA) where: Base-Base interactions energy: -340.950 where: short stacking energy: -174.428 Base-Backbone interact. energy: 1.185 local terms energy: -230.403983 where: bonds (distance) C4'-P energy: -52.182 bonds (distance) P-C4' energy: -65.669 flat angles C4'-P-C4' energy: -59.876 flat angles P-C4'-P energy: -43.880 tors. eta vs tors. theta energy: -8.797 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: 1, replica: 3 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1540.429282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.429282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.429282 (E_RNA) where: Base-Base interactions energy: -1094.032 where: short stacking energy: -455.879 Base-Backbone interact. energy: -1.689 local terms energy: -444.708270 where: bonds (distance) C4'-P energy: -85.310 bonds (distance) P-C4' energy: -76.686 flat angles C4'-P-C4' energy: -97.172 flat angles P-C4'-P energy: -65.106 tors. eta vs tors. theta energy: -120.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1469.825751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.825751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.825751 (E_RNA) where: Base-Base interactions energy: -1030.483 where: short stacking energy: -450.082 Base-Backbone interact. energy: -0.641 local terms energy: -438.701408 where: bonds (distance) C4'-P energy: -74.683 bonds (distance) P-C4' energy: -80.960 flat angles C4'-P-C4' energy: -94.801 flat angles P-C4'-P energy: -64.090 tors. eta vs tors. theta energy: -124.167 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: 1 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1369.280437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.280437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.280437 (E_RNA) where: Base-Base interactions energy: -949.738 where: short stacking energy: -407.636 Base-Backbone interact. energy: -2.959 local terms energy: -416.583696 where: bonds (distance) C4'-P energy: -83.298 bonds (distance) P-C4' energy: -80.734 flat angles C4'-P-C4' energy: -89.864 flat angles P-C4'-P energy: -56.803 tors. eta vs tors. theta energy: -105.886 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: 8 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1360.195252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.195252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.195252 (E_RNA) where: Base-Base interactions energy: -941.306 where: short stacking energy: -397.189 Base-Backbone interact. energy: -1.605 local terms energy: -417.284650 where: bonds (distance) C4'-P energy: -72.858 bonds (distance) P-C4' energy: -82.730 flat angles C4'-P-C4' energy: -92.843 flat angles P-C4'-P energy: -56.965 tors. eta vs tors. theta energy: -111.888 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: 5, replica: 10 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -1327.484751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.484751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.484751 (E_RNA) where: Base-Base interactions energy: -920.165 where: short stacking energy: -384.795 Base-Backbone interact. energy: -1.692 local terms energy: -405.627557 where: bonds (distance) C4'-P energy: -86.953 bonds (distance) P-C4' energy: -67.249 flat angles C4'-P-C4' energy: -80.353 flat angles P-C4'-P energy: -68.032 tors. eta vs tors. theta energy: -103.041 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: 6 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1177.843958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.843958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.843958 (E_RNA) where: Base-Base interactions energy: -823.122 where: short stacking energy: -358.875 Base-Backbone interact. energy: -0.819 local terms energy: -353.903348 where: bonds (distance) C4'-P energy: -49.311 bonds (distance) P-C4' energy: -71.928 flat angles C4'-P-C4' energy: -89.148 flat angles P-C4'-P energy: -57.126 tors. eta vs tors. theta energy: -86.390 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: 9 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1079.570476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.570476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.570476 (E_RNA) where: Base-Base interactions energy: -714.150 where: short stacking energy: -318.492 Base-Backbone interact. energy: -0.511 local terms energy: -364.909742 where: bonds (distance) C4'-P energy: -80.227 bonds (distance) P-C4' energy: -67.271 flat angles C4'-P-C4' energy: -85.799 flat angles P-C4'-P energy: -57.034 tors. eta vs tors. theta energy: -74.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1043.923408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.923408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.923408 (E_RNA) where: Base-Base interactions energy: -710.031 where: short stacking energy: -303.337 Base-Backbone interact. energy: -1.932 local terms energy: -331.959658 where: bonds (distance) C4'-P energy: -66.009 bonds (distance) P-C4' energy: -84.032 flat angles C4'-P-C4' energy: -63.506 flat angles P-C4'-P energy: -36.252 tors. eta vs tors. theta energy: -82.160 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: 5 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -806.370190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.370190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.370190 (E_RNA) where: Base-Base interactions energy: -514.737 where: short stacking energy: -233.859 Base-Backbone interact. energy: -1.360 local terms energy: -290.272908 where: bonds (distance) C4'-P energy: -63.274 bonds (distance) P-C4' energy: -76.725 flat angles C4'-P-C4' energy: -73.730 flat angles P-C4'-P energy: -39.131 tors. eta vs tors. theta energy: -37.413 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: 4 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -644.450064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.450064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.450064 (E_RNA) where: Base-Base interactions energy: -410.163 where: short stacking energy: -187.029 Base-Backbone interact. energy: -1.636 local terms energy: -232.651235 where: bonds (distance) C4'-P energy: -58.880 bonds (distance) P-C4' energy: -67.006 flat angles C4'-P-C4' energy: -58.374 flat angles P-C4'-P energy: -33.713 tors. eta vs tors. theta energy: -14.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1528.925863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.925863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.925863 (E_RNA) where: Base-Base interactions energy: -1083.600 where: short stacking energy: -455.040 Base-Backbone interact. energy: -1.794 local terms energy: -443.532677 where: bonds (distance) C4'-P energy: -75.016 bonds (distance) P-C4' energy: -90.482 flat angles C4'-P-C4' energy: -98.471 flat angles P-C4'-P energy: -62.896 tors. eta vs tors. theta energy: -116.668 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: 2 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1493.337953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.337953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.337953 (E_RNA) where: Base-Base interactions energy: -1051.165 where: short stacking energy: -449.450 Base-Backbone interact. energy: -0.162 local terms energy: -442.011375 where: bonds (distance) C4'-P energy: -72.659 bonds (distance) P-C4' energy: -88.604 flat angles C4'-P-C4' energy: -94.300 flat angles P-C4'-P energy: -66.506 tors. eta vs tors. theta energy: -119.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1383.931098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.931098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.931098 (E_RNA) where: Base-Base interactions energy: -969.856 where: short stacking energy: -405.559 Base-Backbone interact. energy: -1.705 local terms energy: -412.370386 where: bonds (distance) C4'-P energy: -74.814 bonds (distance) P-C4' energy: -73.389 flat angles C4'-P-C4' energy: -92.415 flat angles P-C4'-P energy: -58.568 tors. eta vs tors. theta energy: -113.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1319.767164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.767164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.767164 (E_RNA) where: Base-Base interactions energy: -921.715 where: short stacking energy: -381.743 Base-Backbone interact. energy: 0.182 local terms energy: -398.234132 where: bonds (distance) C4'-P energy: -83.098 bonds (distance) P-C4' energy: -66.984 flat angles C4'-P-C4' energy: -97.401 flat angles P-C4'-P energy: -55.104 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: 10 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -1312.300144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.300144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.300144 (E_RNA) where: Base-Base interactions energy: -912.197 where: short stacking energy: -396.266 Base-Backbone interact. energy: 1.205 local terms energy: -401.308538 where: bonds (distance) C4'-P energy: -81.594 bonds (distance) P-C4' energy: -80.199 flat angles C4'-P-C4' energy: -84.991 flat angles P-C4'-P energy: -47.503 tors. eta vs tors. theta energy: -107.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1158.882622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.882622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.882622 (E_RNA) where: Base-Base interactions energy: -815.173 where: short stacking energy: -346.404 Base-Backbone interact. energy: 1.739 local terms energy: -345.447975 where: bonds (distance) C4'-P energy: -59.907 bonds (distance) P-C4' energy: -64.113 flat angles C4'-P-C4' energy: -78.389 flat angles P-C4'-P energy: -56.078 tors. eta vs tors. theta energy: -86.961 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: 7 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1105.949402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.949402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.949402 (E_RNA) where: Base-Base interactions energy: -755.813 where: short stacking energy: -345.259 Base-Backbone interact. energy: 0.596 local terms energy: -350.732538 where: bonds (distance) C4'-P energy: -58.302 bonds (distance) P-C4' energy: -78.849 flat angles C4'-P-C4' energy: -70.383 flat angles P-C4'-P energy: -54.020 tors. eta vs tors. theta energy: -89.180 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: 8, replica: 9 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1063.415197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.415197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.415197 (E_RNA) where: Base-Base interactions energy: -715.580 where: short stacking energy: -320.092 Base-Backbone interact. energy: -1.036 local terms energy: -346.798870 where: bonds (distance) C4'-P energy: -57.155 bonds (distance) P-C4' energy: -73.120 flat angles C4'-P-C4' energy: -75.273 flat angles P-C4'-P energy: -60.155 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: 9, replica: 5 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -830.472132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.472132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.472132 (E_RNA) where: Base-Base interactions energy: -535.985 where: short stacking energy: -228.804 Base-Backbone interact. energy: -1.501 local terms energy: -292.986056 where: bonds (distance) C4'-P energy: -80.490 bonds (distance) P-C4' energy: -70.796 flat angles C4'-P-C4' energy: -65.017 flat angles P-C4'-P energy: -41.459 tors. eta vs tors. theta energy: -35.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -638.318741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.318741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.318741 (E_RNA) where: Base-Base interactions energy: -395.859 where: short stacking energy: -198.016 Base-Backbone interact. energy: -1.604 local terms energy: -240.856095 where: bonds (distance) C4'-P energy: -51.031 bonds (distance) P-C4' energy: -64.311 flat angles C4'-P-C4' energy: -52.850 flat angles P-C4'-P energy: -41.897 tors. eta vs tors. theta energy: -30.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1520.071603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.071603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.071603 (E_RNA) where: Base-Base interactions energy: -1062.622 where: short stacking energy: -443.571 Base-Backbone interact. energy: -2.849 local terms energy: -454.600445 where: bonds (distance) C4'-P energy: -93.804 bonds (distance) P-C4' energy: -83.713 flat angles C4'-P-C4' energy: -96.342 flat angles P-C4'-P energy: -64.462 tors. eta vs tors. theta energy: -116.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1498.930299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.930299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.930299 (E_RNA) where: Base-Base interactions energy: -1048.974 where: short stacking energy: -459.211 Base-Backbone interact. energy: -0.689 local terms energy: -449.266633 where: bonds (distance) C4'-P energy: -79.866 bonds (distance) P-C4' energy: -80.134 flat angles C4'-P-C4' energy: -94.265 flat angles P-C4'-P energy: -68.767 tors. eta vs tors. theta energy: -126.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1385.890841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.890841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.890841 (E_RNA) where: Base-Base interactions energy: -959.519 where: short stacking energy: -423.338 Base-Backbone interact. energy: -0.929 local terms energy: -425.443202 where: bonds (distance) C4'-P energy: -72.648 bonds (distance) P-C4' energy: -84.015 flat angles C4'-P-C4' energy: -87.546 flat angles P-C4'-P energy: -63.650 tors. eta vs tors. theta energy: -117.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1319.519443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.519443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.519443 (E_RNA) where: Base-Base interactions energy: -912.918 where: short stacking energy: -373.788 Base-Backbone interact. energy: 0.520 local terms energy: -407.121441 where: bonds (distance) C4'-P energy: -80.708 bonds (distance) P-C4' energy: -79.300 flat angles C4'-P-C4' energy: -92.753 flat angles P-C4'-P energy: -63.960 tors. eta vs tors. theta energy: -90.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1298.289049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.289049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.289049 (E_RNA) where: Base-Base interactions energy: -918.332 where: short stacking energy: -386.441 Base-Backbone interact. energy: -3.439 local terms energy: -376.518578 where: bonds (distance) C4'-P energy: -65.612 bonds (distance) P-C4' energy: -82.787 flat angles C4'-P-C4' energy: -79.028 flat angles P-C4'-P energy: -47.114 tors. eta vs tors. theta energy: -101.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1147.289405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.289405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.289405 (E_RNA) where: Base-Base interactions energy: -771.077 where: short stacking energy: -335.793 Base-Backbone interact. energy: 0.371 local terms energy: -376.584176 where: bonds (distance) C4'-P energy: -79.162 bonds (distance) P-C4' energy: -78.699 flat angles C4'-P-C4' energy: -80.061 flat angles P-C4'-P energy: -47.991 tors. eta vs tors. theta energy: -90.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1141.161302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.161302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.161302 (E_RNA) where: Base-Base interactions energy: -776.639 where: short stacking energy: -311.627 Base-Backbone interact. energy: -0.229 local terms energy: -364.293027 where: bonds (distance) C4'-P energy: -68.475 bonds (distance) P-C4' energy: -78.685 flat angles C4'-P-C4' energy: -70.813 flat angles P-C4'-P energy: -54.530 tors. eta vs tors. theta energy: -91.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1038.851331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.851331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.851331 (E_RNA) where: Base-Base interactions energy: -709.901 where: short stacking energy: -291.373 Base-Backbone interact. energy: -0.016 local terms energy: -328.935105 where: bonds (distance) C4'-P energy: -83.017 bonds (distance) P-C4' energy: -66.542 flat angles C4'-P-C4' energy: -61.127 flat angles P-C4'-P energy: -46.029 tors. eta vs tors. theta energy: -72.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -858.747548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.747548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.747548 (E_RNA) where: Base-Base interactions energy: -545.912 where: short stacking energy: -243.340 Base-Backbone interact. energy: -1.592 local terms energy: -311.244297 where: bonds (distance) C4'-P energy: -58.061 bonds (distance) P-C4' energy: -70.166 flat angles C4'-P-C4' energy: -72.296 flat angles P-C4'-P energy: -55.323 tors. eta vs tors. theta energy: -55.398 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: 4 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -599.466479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.466479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.466479 (E_RNA) where: Base-Base interactions energy: -340.146 where: short stacking energy: -165.285 Base-Backbone interact. energy: -3.020 local terms energy: -256.300986 where: bonds (distance) C4'-P energy: -66.672 bonds (distance) P-C4' energy: -66.894 flat angles C4'-P-C4' energy: -74.423 flat angles P-C4'-P energy: -36.346 tors. eta vs tors. theta energy: -11.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1510.176883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.176883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.176883 (E_RNA) where: Base-Base interactions energy: -1061.737 where: short stacking energy: -450.489 Base-Backbone interact. energy: -4.933 local terms energy: -443.507290 where: bonds (distance) C4'-P energy: -90.771 bonds (distance) P-C4' energy: -82.481 flat angles C4'-P-C4' energy: -92.168 flat angles P-C4'-P energy: -57.786 tors. eta vs tors. theta energy: -120.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1479.927569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.927569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.927569 (E_RNA) where: Base-Base interactions energy: -1041.917 where: short stacking energy: -457.803 Base-Backbone interact. energy: -0.681 local terms energy: -437.329627 where: bonds (distance) C4'-P energy: -68.395 bonds (distance) P-C4' energy: -84.280 flat angles C4'-P-C4' energy: -92.495 flat angles P-C4'-P energy: -66.763 tors. eta vs tors. theta energy: -125.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1415.109197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.109197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.109197 (E_RNA) where: Base-Base interactions energy: -997.628 where: short stacking energy: -425.451 Base-Backbone interact. energy: -2.156 local terms energy: -415.325415 where: bonds (distance) C4'-P energy: -79.937 bonds (distance) P-C4' energy: -76.417 flat angles C4'-P-C4' energy: -82.758 flat angles P-C4'-P energy: -52.000 tors. eta vs tors. theta energy: -124.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1313.199924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.199924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.199924 (E_RNA) where: Base-Base interactions energy: -918.792 where: short stacking energy: -382.925 Base-Backbone interact. energy: 2.344 local terms energy: -396.751690 where: bonds (distance) C4'-P energy: -80.665 bonds (distance) P-C4' energy: -74.723 flat angles C4'-P-C4' energy: -89.443 flat angles P-C4'-P energy: -55.614 tors. eta vs tors. theta energy: -96.306 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: 10 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1310.020074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.020074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.020074 (E_RNA) where: Base-Base interactions energy: -918.420 where: short stacking energy: -397.367 Base-Backbone interact. energy: -1.989 local terms energy: -389.611302 where: bonds (distance) C4'-P energy: -71.047 bonds (distance) P-C4' energy: -75.413 flat angles C4'-P-C4' energy: -80.495 flat angles P-C4'-P energy: -51.719 tors. eta vs tors. theta energy: -110.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1185.332662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.332662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.332662 (E_RNA) where: Base-Base interactions energy: -814.067 where: short stacking energy: -349.371 Base-Backbone interact. energy: 0.194 local terms energy: -371.459715 where: bonds (distance) C4'-P energy: -65.283 bonds (distance) P-C4' energy: -67.778 flat angles C4'-P-C4' energy: -90.597 flat angles P-C4'-P energy: -55.945 tors. eta vs tors. theta energy: -91.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1188.844736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.844736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.844736 (E_RNA) where: Base-Base interactions energy: -803.866 where: short stacking energy: -353.404 Base-Backbone interact. energy: -2.569 local terms energy: -382.409715 where: bonds (distance) C4'-P energy: -73.551 bonds (distance) P-C4' energy: -80.745 flat angles C4'-P-C4' energy: -74.328 flat angles P-C4'-P energy: -51.049 tors. eta vs tors. theta energy: -102.737 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: 9 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -985.099387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.099387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.099387 (E_RNA) where: Base-Base interactions energy: -668.097 where: short stacking energy: -310.594 Base-Backbone interact. energy: -2.954 local terms energy: -314.048743 where: bonds (distance) C4'-P energy: -68.875 bonds (distance) P-C4' energy: -65.681 flat angles C4'-P-C4' energy: -61.513 flat angles P-C4'-P energy: -47.067 tors. eta vs tors. theta energy: -70.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -803.528956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.528956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.528956 (E_RNA) where: Base-Base interactions energy: -528.436 where: short stacking energy: -219.595 Base-Backbone interact. energy: -1.151 local terms energy: -273.941923 where: bonds (distance) C4'-P energy: -70.193 bonds (distance) P-C4' energy: -86.241 flat angles C4'-P-C4' energy: -57.648 flat angles P-C4'-P energy: -31.380 tors. eta vs tors. theta energy: -28.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -643.860382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.860382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.860382 (E_RNA) where: Base-Base interactions energy: -393.499 where: short stacking energy: -218.770 Base-Backbone interact. energy: 1.954 local terms energy: -252.315971 where: bonds (distance) C4'-P energy: -58.976 bonds (distance) P-C4' energy: -72.462 flat angles C4'-P-C4' energy: -47.977 flat angles P-C4'-P energy: -48.133 tors. eta vs tors. theta energy: -24.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1521.291822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.291822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.291822 (E_RNA) where: Base-Base interactions energy: -1072.264 where: short stacking energy: -469.161 Base-Backbone interact. energy: -2.413 local terms energy: -446.614466 where: bonds (distance) C4'-P energy: -75.742 bonds (distance) P-C4' energy: -86.822 flat angles C4'-P-C4' energy: -93.799 flat angles P-C4'-P energy: -63.893 tors. eta vs tors. theta energy: -126.359 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: 2, replica: 2 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1489.051171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.051171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.051171 (E_RNA) where: Base-Base interactions energy: -1016.601 where: short stacking energy: -453.378 Base-Backbone interact. energy: 0.219 local terms energy: -472.669683 where: bonds (distance) C4'-P energy: -85.160 bonds (distance) P-C4' energy: -86.481 flat angles C4'-P-C4' energy: -93.819 flat angles P-C4'-P energy: -76.690 tors. eta vs tors. theta energy: -130.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1418.618865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.618865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.618865 (E_RNA) where: Base-Base interactions energy: -976.929 where: short stacking energy: -421.917 Base-Backbone interact. energy: -1.835 local terms energy: -439.854569 where: bonds (distance) C4'-P energy: -77.685 bonds (distance) P-C4' energy: -83.377 flat angles C4'-P-C4' energy: -98.741 flat angles P-C4'-P energy: -61.359 tors. eta vs tors. theta energy: -118.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1319.975101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.975101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.975101 (E_RNA) where: Base-Base interactions energy: -913.561 where: short stacking energy: -375.703 Base-Backbone interact. energy: 2.414 local terms energy: -408.828441 where: bonds (distance) C4'-P energy: -75.937 bonds (distance) P-C4' energy: -88.873 flat angles C4'-P-C4' energy: -85.196 flat angles P-C4'-P energy: -60.300 tors. eta vs tors. theta energy: -98.523 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: 10 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1310.013788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.013788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.013788 (E_RNA) where: Base-Base interactions energy: -889.177 where: short stacking energy: -383.641 Base-Backbone interact. energy: -1.479 local terms energy: -419.356966 where: bonds (distance) C4'-P energy: -74.488 bonds (distance) P-C4' energy: -81.620 flat angles C4'-P-C4' energy: -90.452 flat angles P-C4'-P energy: -57.963 tors. eta vs tors. theta energy: -114.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1203.015039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.015039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.015039 (E_RNA) where: Base-Base interactions energy: -828.512 where: short stacking energy: -364.608 Base-Backbone interact. energy: 1.939 local terms energy: -376.442760 where: bonds (distance) C4'-P energy: -72.129 bonds (distance) P-C4' energy: -67.649 flat angles C4'-P-C4' energy: -79.544 flat angles P-C4'-P energy: -54.683 tors. eta vs tors. theta energy: -102.439 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: 239 Temperature: 1.200000 Total energy: -1159.998737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.998737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.998737 (E_RNA) where: Base-Base interactions energy: -799.777 where: short stacking energy: -340.269 Base-Backbone interact. energy: -1.217 local terms energy: -359.004703 where: bonds (distance) C4'-P energy: -69.003 bonds (distance) P-C4' energy: -74.443 flat angles C4'-P-C4' energy: -67.399 flat angles P-C4'-P energy: -58.049 tors. eta vs tors. theta energy: -90.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -998.930134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.930134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.930134 (E_RNA) where: Base-Base interactions energy: -677.545 where: short stacking energy: -309.166 Base-Backbone interact. energy: 0.465 local terms energy: -321.849417 where: bonds (distance) C4'-P energy: -63.620 bonds (distance) P-C4' energy: -70.940 flat angles C4'-P-C4' energy: -71.965 flat angles P-C4'-P energy: -41.987 tors. eta vs tors. theta energy: -73.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -774.005091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.005091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.005091 (E_RNA) where: Base-Base interactions energy: -493.342 where: short stacking energy: -231.255 Base-Backbone interact. energy: -2.058 local terms energy: -278.604563 where: bonds (distance) C4'-P energy: -64.452 bonds (distance) P-C4' energy: -71.736 flat angles C4'-P-C4' energy: -66.651 flat angles P-C4'-P energy: -40.323 tors. eta vs tors. theta energy: -35.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -555.833888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.833888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.833888 (E_RNA) where: Base-Base interactions energy: -318.842 where: short stacking energy: -156.283 Base-Backbone interact. energy: 2.066 local terms energy: -239.057879 where: bonds (distance) C4'-P energy: -59.934 bonds (distance) P-C4' energy: -71.962 flat angles C4'-P-C4' energy: -47.869 flat angles P-C4'-P energy: -45.281 tors. eta vs tors. theta energy: -14.012 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: 2 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1514.531124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.531124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.531124 (E_RNA) where: Base-Base interactions energy: -1057.073 where: short stacking energy: -468.172 Base-Backbone interact. energy: -1.218 local terms energy: -456.240646 where: bonds (distance) C4'-P energy: -81.666 bonds (distance) P-C4' energy: -88.565 flat angles C4'-P-C4' energy: -89.059 flat angles P-C4'-P energy: -69.767 tors. eta vs tors. theta energy: -127.183 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: 3 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1478.958067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.958067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.958067 (E_RNA) where: Base-Base interactions energy: -1056.917 where: short stacking energy: -433.110 Base-Backbone interact. energy: -0.456 local terms energy: -421.585545 where: bonds (distance) C4'-P energy: -74.919 bonds (distance) P-C4' energy: -78.488 flat angles C4'-P-C4' energy: -85.583 flat angles P-C4'-P energy: -71.571 tors. eta vs tors. theta energy: -111.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1430.050511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.050511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.050511 (E_RNA) where: Base-Base interactions energy: -989.138 where: short stacking energy: -415.137 Base-Backbone interact. energy: -1.709 local terms energy: -439.202971 where: bonds (distance) C4'-P energy: -76.596 bonds (distance) P-C4' energy: -81.555 flat angles C4'-P-C4' energy: -97.444 flat angles P-C4'-P energy: -67.753 tors. eta vs tors. theta energy: -115.855 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: 1 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1317.864259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.864259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.864259 (E_RNA) where: Base-Base interactions energy: -909.880 where: short stacking energy: -386.502 Base-Backbone interact. energy: -1.908 local terms energy: -406.077026 where: bonds (distance) C4'-P energy: -78.307 bonds (distance) P-C4' energy: -82.050 flat angles C4'-P-C4' energy: -83.894 flat angles P-C4'-P energy: -60.343 tors. eta vs tors. theta energy: -101.483 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: 10 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1310.228664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.228664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.228664 (E_RNA) where: Base-Base interactions energy: -912.955 where: short stacking energy: -379.297 Base-Backbone interact. energy: -2.080 local terms energy: -395.193075 where: bonds (distance) C4'-P energy: -80.381 bonds (distance) P-C4' energy: -68.500 flat angles C4'-P-C4' energy: -87.549 flat angles P-C4'-P energy: -55.095 tors. eta vs tors. theta energy: -103.669 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: 6 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1171.550854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.550854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.550854 (E_RNA) where: Base-Base interactions energy: -819.943 where: short stacking energy: -366.602 Base-Backbone interact. energy: 0.145 local terms energy: -351.752455 where: bonds (distance) C4'-P energy: -60.063 bonds (distance) P-C4' energy: -78.291 flat angles C4'-P-C4' energy: -76.349 flat angles P-C4'-P energy: -45.936 tors. eta vs tors. theta energy: -91.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1034.573173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.573173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.573173 (E_RNA) where: Base-Base interactions energy: -682.870 where: short stacking energy: -322.385 Base-Backbone interact. energy: -1.277 local terms energy: -350.426618 where: bonds (distance) C4'-P energy: -72.040 bonds (distance) P-C4' energy: -80.448 flat angles C4'-P-C4' energy: -80.436 flat angles P-C4'-P energy: -41.995 tors. eta vs tors. theta energy: -75.507 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: 7 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1059.063083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.063083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.063083 (E_RNA) where: Base-Base interactions energy: -718.526 where: short stacking energy: -314.710 Base-Backbone interact. energy: -0.398 local terms energy: -340.139111 where: bonds (distance) C4'-P energy: -65.261 bonds (distance) P-C4' energy: -56.178 flat angles C4'-P-C4' energy: -80.602 flat angles P-C4'-P energy: -58.984 tors. eta vs tors. theta energy: -79.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -807.893282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.893282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.893282 (E_RNA) where: Base-Base interactions energy: -513.514 where: short stacking energy: -231.805 Base-Backbone interact. energy: 0.667 local terms energy: -295.046409 where: bonds (distance) C4'-P energy: -55.921 bonds (distance) P-C4' energy: -82.934 flat angles C4'-P-C4' energy: -60.921 flat angles P-C4'-P energy: -51.764 tors. eta vs tors. theta energy: -43.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -539.664598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.664598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.664598 (E_RNA) where: Base-Base interactions energy: -304.357 where: short stacking energy: -163.845 Base-Backbone interact. energy: 1.034 local terms energy: -236.342017 where: bonds (distance) C4'-P energy: -69.797 bonds (distance) P-C4' energy: -62.178 flat angles C4'-P-C4' energy: -53.632 flat angles P-C4'-P energy: -38.257 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: 1, replica: 2 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1503.966332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.966332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.966332 (E_RNA) where: Base-Base interactions energy: -1042.764 where: short stacking energy: -459.429 Base-Backbone interact. energy: 0.359 local terms energy: -461.560718 where: bonds (distance) C4'-P energy: -83.736 bonds (distance) P-C4' energy: -89.908 flat angles C4'-P-C4' energy: -100.332 flat angles P-C4'-P energy: -63.756 tors. eta vs tors. theta energy: -123.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1479.021039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.021039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.021039 (E_RNA) where: Base-Base interactions energy: -1044.033 where: short stacking energy: -430.079 Base-Backbone interact. energy: -2.521 local terms energy: -432.466551 where: bonds (distance) C4'-P energy: -96.843 bonds (distance) P-C4' energy: -72.161 flat angles C4'-P-C4' energy: -90.184 flat angles P-C4'-P energy: -60.452 tors. eta vs tors. theta energy: -112.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1427.182567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.182567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.182567 (E_RNA) where: Base-Base interactions energy: -996.224 where: short stacking energy: -421.273 Base-Backbone interact. energy: -3.099 local terms energy: -427.858978 where: bonds (distance) C4'-P energy: -78.699 bonds (distance) P-C4' energy: -77.193 flat angles C4'-P-C4' energy: -96.579 flat angles P-C4'-P energy: -64.885 tors. eta vs tors. theta energy: -110.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1321.396185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.396185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.396185 (E_RNA) where: Base-Base interactions energy: -936.786 where: short stacking energy: -386.918 Base-Backbone interact. energy: -2.073 local terms energy: -382.537294 where: bonds (distance) C4'-P energy: -65.860 bonds (distance) P-C4' energy: -80.139 flat angles C4'-P-C4' energy: -79.068 flat angles P-C4'-P energy: -60.470 tors. eta vs tors. theta energy: -97.000 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: 10 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1297.440831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.440831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.440831 (E_RNA) where: Base-Base interactions energy: -900.948 where: short stacking energy: -391.698 Base-Backbone interact. energy: -0.019 local terms energy: -396.473792 where: bonds (distance) C4'-P energy: -72.519 bonds (distance) P-C4' energy: -70.181 flat angles C4'-P-C4' energy: -92.363 flat angles P-C4'-P energy: -57.701 tors. eta vs tors. theta energy: -103.709 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: 6 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1154.924651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.924651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.924651 (E_RNA) where: Base-Base interactions energy: -803.504 where: short stacking energy: -347.840 Base-Backbone interact. energy: 2.258 local terms energy: -353.678088 where: bonds (distance) C4'-P energy: -62.949 bonds (distance) P-C4' energy: -69.244 flat angles C4'-P-C4' energy: -88.607 flat angles P-C4'-P energy: -48.291 tors. eta vs tors. theta energy: -84.587 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: 9 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1085.280120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.280120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.280120 (E_RNA) where: Base-Base interactions energy: -728.119 where: short stacking energy: -339.046 Base-Backbone interact. energy: 1.307 local terms energy: -358.468600 where: bonds (distance) C4'-P energy: -65.178 bonds (distance) P-C4' energy: -79.211 flat angles C4'-P-C4' energy: -81.189 flat angles P-C4'-P energy: -46.696 tors. eta vs tors. theta energy: -86.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1039.147020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.147020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.147020 (E_RNA) where: Base-Base interactions energy: -686.654 where: short stacking energy: -311.491 Base-Backbone interact. energy: -0.954 local terms energy: -351.539068 where: bonds (distance) C4'-P energy: -62.026 bonds (distance) P-C4' energy: -80.102 flat angles C4'-P-C4' energy: -78.283 flat angles P-C4'-P energy: -48.106 tors. eta vs tors. theta energy: -83.023 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: 9, replica: 5 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -807.040725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.040725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.040725 (E_RNA) where: Base-Base interactions energy: -528.630 where: short stacking energy: -247.880 Base-Backbone interact. energy: 1.736 local terms energy: -280.146893 where: bonds (distance) C4'-P energy: -70.956 bonds (distance) P-C4' energy: -68.212 flat angles C4'-P-C4' energy: -67.674 flat angles P-C4'-P energy: -35.949 tors. eta vs tors. theta energy: -37.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -540.212160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.212160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.212160 (E_RNA) where: Base-Base interactions energy: -308.249 where: short stacking energy: -161.666 Base-Backbone interact. energy: 4.002 local terms energy: -235.965689 where: bonds (distance) C4'-P energy: -68.107 bonds (distance) P-C4' energy: -61.889 flat angles C4'-P-C4' energy: -69.304 flat angles P-C4'-P energy: -30.392 tors. eta vs tors. theta energy: -6.273 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: 3 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1537.308740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.308740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.308740 (E_RNA) where: Base-Base interactions energy: -1076.534 where: short stacking energy: -446.520 Base-Backbone interact. energy: -1.351 local terms energy: -459.424268 where: bonds (distance) C4'-P energy: -87.050 bonds (distance) P-C4' energy: -82.476 flat angles C4'-P-C4' energy: -105.126 flat angles P-C4'-P energy: -60.824 tors. eta vs tors. theta energy: -123.949 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: 2 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1486.756152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.756152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.756152 (E_RNA) where: Base-Base interactions energy: -1042.059 where: short stacking energy: -456.827 Base-Backbone interact. energy: -0.098 local terms energy: -444.598391 where: bonds (distance) C4'-P energy: -84.363 bonds (distance) P-C4' energy: -71.332 flat angles C4'-P-C4' energy: -90.571 flat angles P-C4'-P energy: -65.491 tors. eta vs tors. theta energy: -132.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1414.046890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.046890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.046890 (E_RNA) where: Base-Base interactions energy: -987.523 where: short stacking energy: -434.556 Base-Backbone interact. energy: -0.019 local terms energy: -426.505652 where: bonds (distance) C4'-P energy: -77.044 bonds (distance) P-C4' energy: -79.940 flat angles C4'-P-C4' energy: -96.116 flat angles P-C4'-P energy: -58.077 tors. eta vs tors. theta energy: -115.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1288.377157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.377157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.377157 (E_RNA) where: Base-Base interactions energy: -885.160 where: short stacking energy: -355.630 Base-Backbone interact. energy: -2.414 local terms energy: -400.803410 where: bonds (distance) C4'-P energy: -74.690 bonds (distance) P-C4' energy: -77.446 flat angles C4'-P-C4' energy: -94.353 flat angles P-C4'-P energy: -60.409 tors. eta vs tors. theta energy: -93.906 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: 10 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -1292.828590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.828590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.828590 (E_RNA) where: Base-Base interactions energy: -885.353 where: short stacking energy: -380.549 Base-Backbone interact. energy: 1.767 local terms energy: -409.243090 where: bonds (distance) C4'-P energy: -76.736 bonds (distance) P-C4' energy: -82.957 flat angles C4'-P-C4' energy: -88.872 flat angles P-C4'-P energy: -55.147 tors. eta vs tors. theta energy: -105.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1145.989313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.989313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.989313 (E_RNA) where: Base-Base interactions energy: -775.856 where: short stacking energy: -321.100 Base-Backbone interact. energy: -1.963 local terms energy: -368.170837 where: bonds (distance) C4'-P energy: -83.164 bonds (distance) P-C4' energy: -68.495 flat angles C4'-P-C4' energy: -84.774 flat angles P-C4'-P energy: -50.232 tors. eta vs tors. theta energy: -81.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1068.051035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.051035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.051035 (E_RNA) where: Base-Base interactions energy: -727.434 where: short stacking energy: -339.626 Base-Backbone interact. energy: 0.909 local terms energy: -341.526231 where: bonds (distance) C4'-P energy: -71.604 bonds (distance) P-C4' energy: -60.237 flat angles C4'-P-C4' energy: -75.123 flat angles P-C4'-P energy: -54.902 tors. eta vs tors. theta energy: -79.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1091.883553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.883553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.883553 (E_RNA) where: Base-Base interactions energy: -753.189 where: short stacking energy: -338.685 Base-Backbone interact. energy: 3.104 local terms energy: -341.798673 where: bonds (distance) C4'-P energy: -51.555 bonds (distance) P-C4' energy: -63.900 flat angles C4'-P-C4' energy: -84.677 flat angles P-C4'-P energy: -55.141 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: 9, replica: 5 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -774.052273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.052273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.052273 (E_RNA) where: Base-Base interactions energy: -481.618 where: short stacking energy: -211.164 Base-Backbone interact. energy: -1.078 local terms energy: -291.356072 where: bonds (distance) C4'-P energy: -69.518 bonds (distance) P-C4' energy: -71.728 flat angles C4'-P-C4' energy: -73.269 flat angles P-C4'-P energy: -42.298 tors. eta vs tors. theta energy: -34.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -524.243629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.243629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.243629 (E_RNA) where: Base-Base interactions energy: -296.420 where: short stacking energy: -167.347 Base-Backbone interact. energy: 0.447 local terms energy: -228.270379 where: bonds (distance) C4'-P energy: -57.750 bonds (distance) P-C4' energy: -76.173 flat angles C4'-P-C4' energy: -65.944 flat angles P-C4'-P energy: -23.413 tors. eta vs tors. theta energy: -4.989 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: 243 Temperature: 0.900000 Total energy: -1534.954421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.954421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.954421 (E_RNA) where: Base-Base interactions energy: -1060.269 where: short stacking energy: -455.736 Base-Backbone interact. energy: 0.968 local terms energy: -475.653391 where: bonds (distance) C4'-P energy: -88.098 bonds (distance) P-C4' energy: -89.284 flat angles C4'-P-C4' energy: -103.175 flat angles P-C4'-P energy: -72.868 tors. eta vs tors. theta energy: -122.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1486.954057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.954057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.954057 (E_RNA) where: Base-Base interactions energy: -1038.518 where: short stacking energy: -466.363 Base-Backbone interact. energy: -1.391 local terms energy: -447.045041 where: bonds (distance) C4'-P energy: -71.850 bonds (distance) P-C4' energy: -91.317 flat angles C4'-P-C4' energy: -94.322 flat angles P-C4'-P energy: -68.184 tors. eta vs tors. theta energy: -121.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1389.968280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.968280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.968280 (E_RNA) where: Base-Base interactions energy: -978.681 where: short stacking energy: -404.476 Base-Backbone interact. energy: 0.061 local terms energy: -411.348243 where: bonds (distance) C4'-P energy: -75.665 bonds (distance) P-C4' energy: -77.478 flat angles C4'-P-C4' energy: -89.407 flat angles P-C4'-P energy: -58.317 tors. eta vs tors. theta energy: -110.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1332.367196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.367196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.367196 (E_RNA) where: Base-Base interactions energy: -948.617 where: short stacking energy: -387.915 Base-Backbone interact. energy: -0.157 local terms energy: -383.592569 where: bonds (distance) C4'-P energy: -79.825 bonds (distance) P-C4' energy: -81.942 flat angles C4'-P-C4' energy: -75.971 flat angles P-C4'-P energy: -47.472 tors. eta vs tors. theta energy: -98.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -1270.876587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.876587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.876587 (E_RNA) where: Base-Base interactions energy: -893.746 where: short stacking energy: -367.659 Base-Backbone interact. energy: 0.031 local terms energy: -377.161513 where: bonds (distance) C4'-P energy: -73.504 bonds (distance) P-C4' energy: -71.809 flat angles C4'-P-C4' energy: -78.014 flat angles P-C4'-P energy: -49.272 tors. eta vs tors. theta energy: -104.562 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: 6 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1214.240101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.240101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.240101 (E_RNA) where: Base-Base interactions energy: -839.247 where: short stacking energy: -370.071 Base-Backbone interact. energy: -1.851 local terms energy: -373.142707 where: bonds (distance) C4'-P energy: -66.461 bonds (distance) P-C4' energy: -69.065 flat angles C4'-P-C4' energy: -85.950 flat angles P-C4'-P energy: -61.384 tors. eta vs tors. theta energy: -90.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1072.950166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.950166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.950166 (E_RNA) where: Base-Base interactions energy: -725.349 where: short stacking energy: -323.506 Base-Backbone interact. energy: -1.694 local terms energy: -345.906760 where: bonds (distance) C4'-P energy: -68.774 bonds (distance) P-C4' energy: -81.891 flat angles C4'-P-C4' energy: -84.073 flat angles P-C4'-P energy: -35.903 tors. eta vs tors. theta energy: -75.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1123.594368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.594368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.594368 (E_RNA) where: Base-Base interactions energy: -759.854 where: short stacking energy: -342.555 Base-Backbone interact. energy: -0.173 local terms energy: -363.567711 where: bonds (distance) C4'-P energy: -56.108 bonds (distance) P-C4' energy: -84.737 flat angles C4'-P-C4' energy: -79.217 flat angles P-C4'-P energy: -50.663 tors. eta vs tors. theta energy: -92.842 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: 5 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -722.943743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.943743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.943743 (E_RNA) where: Base-Base interactions energy: -431.490 where: short stacking energy: -203.002 Base-Backbone interact. energy: 0.377 local terms energy: -291.830661 where: bonds (distance) C4'-P energy: -68.708 bonds (distance) P-C4' energy: -66.024 flat angles C4'-P-C4' energy: -63.397 flat angles P-C4'-P energy: -52.359 tors. eta vs tors. theta energy: -41.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -495.933562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.933562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.933562 (E_RNA) where: Base-Base interactions energy: -250.371 where: short stacking energy: -149.769 Base-Backbone interact. energy: 0.981 local terms energy: -246.542740 where: bonds (distance) C4'-P energy: -73.585 bonds (distance) P-C4' energy: -67.527 flat angles C4'-P-C4' energy: -49.985 flat angles P-C4'-P energy: -43.814 tors. eta vs tors. theta energy: -11.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1503.847447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.847447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.847447 (E_RNA) where: Base-Base interactions energy: -1047.851 where: short stacking energy: -464.009 Base-Backbone interact. energy: 0.918 local terms energy: -456.914591 where: bonds (distance) C4'-P energy: -86.680 bonds (distance) P-C4' energy: -85.396 flat angles C4'-P-C4' energy: -98.163 flat angles P-C4'-P energy: -59.563 tors. eta vs tors. theta energy: -127.112 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: 2, replica: 3 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1507.504471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.504471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.504471 (E_RNA) where: Base-Base interactions energy: -1074.609 where: short stacking energy: -460.233 Base-Backbone interact. energy: -0.157 local terms energy: -432.738962 where: bonds (distance) C4'-P energy: -83.329 bonds (distance) P-C4' energy: -74.840 flat angles C4'-P-C4' energy: -92.583 flat angles P-C4'-P energy: -63.390 tors. eta vs tors. theta energy: -118.597 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: 3, replica: 8 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1427.396643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.396643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.396643 (E_RNA) where: Base-Base interactions energy: -1006.942 where: short stacking energy: -446.563 Base-Backbone interact. energy: 0.073 local terms energy: -420.527427 where: bonds (distance) C4'-P energy: -66.353 bonds (distance) P-C4' energy: -76.788 flat angles C4'-P-C4' energy: -105.103 flat angles P-C4'-P energy: -56.847 tors. eta vs tors. theta energy: -115.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1359.964174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.964174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.964174 (E_RNA) where: Base-Base interactions energy: -958.502 where: short stacking energy: -392.691 Base-Backbone interact. energy: -1.765 local terms energy: -399.696210 where: bonds (distance) C4'-P energy: -77.803 bonds (distance) P-C4' energy: -75.156 flat angles C4'-P-C4' energy: -86.150 flat angles P-C4'-P energy: -55.372 tors. eta vs tors. theta energy: -105.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -1232.987209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.987209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.987209 (E_RNA) where: Base-Base interactions energy: -866.738 where: short stacking energy: -369.800 Base-Backbone interact. energy: 2.189 local terms energy: -368.437852 where: bonds (distance) C4'-P energy: -71.780 bonds (distance) P-C4' energy: -70.947 flat angles C4'-P-C4' energy: -84.182 flat angles P-C4'-P energy: -44.329 tors. eta vs tors. theta energy: -97.200 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: 10 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1224.843004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.843004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.843004 (E_RNA) where: Base-Base interactions energy: -834.295 where: short stacking energy: -363.283 Base-Backbone interact. energy: -1.277 local terms energy: -389.270957 where: bonds (distance) C4'-P energy: -64.136 bonds (distance) P-C4' energy: -78.918 flat angles C4'-P-C4' energy: -83.394 flat angles P-C4'-P energy: -61.152 tors. eta vs tors. theta energy: -101.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1063.034597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.034597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.034597 (E_RNA) where: Base-Base interactions energy: -733.931 where: short stacking energy: -326.871 Base-Backbone interact. energy: -1.337 local terms energy: -327.766690 where: bonds (distance) C4'-P energy: -55.073 bonds (distance) P-C4' energy: -67.762 flat angles C4'-P-C4' energy: -71.301 flat angles P-C4'-P energy: -49.089 tors. eta vs tors. theta energy: -84.542 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: 8, replica: 7 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1087.388314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.388314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.388314 (E_RNA) where: Base-Base interactions energy: -756.741 where: short stacking energy: -343.861 Base-Backbone interact. energy: -1.529 local terms energy: -329.117427 where: bonds (distance) C4'-P energy: -67.176 bonds (distance) P-C4' energy: -63.653 flat angles C4'-P-C4' energy: -74.386 flat angles P-C4'-P energy: -48.900 tors. eta vs tors. theta energy: -75.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -709.236330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.236330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.236330 (E_RNA) where: Base-Base interactions energy: -449.459 where: short stacking energy: -218.384 Base-Backbone interact. energy: -1.409 local terms energy: -258.368528 where: bonds (distance) C4'-P energy: -55.055 bonds (distance) P-C4' energy: -63.161 flat angles C4'-P-C4' energy: -64.215 flat angles P-C4'-P energy: -39.587 tors. eta vs tors. theta energy: -36.350 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: 4 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -572.852912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.852912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.852912 (E_RNA) where: Base-Base interactions energy: -315.432 where: short stacking energy: -173.213 Base-Backbone interact. energy: 1.959 local terms energy: -259.380396 where: bonds (distance) C4'-P energy: -71.188 bonds (distance) P-C4' energy: -71.880 flat angles C4'-P-C4' energy: -79.240 flat angles P-C4'-P energy: -35.091 tors. eta vs tors. theta energy: -1.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1514.220567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.220567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.220567 (E_RNA) where: Base-Base interactions energy: -1043.274 where: short stacking energy: -463.919 Base-Backbone interact. energy: -1.283 local terms energy: -469.663076 where: bonds (distance) C4'-P energy: -86.858 bonds (distance) P-C4' energy: -79.868 flat angles C4'-P-C4' energy: -108.001 flat angles P-C4'-P energy: -63.384 tors. eta vs tors. theta energy: -131.552 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: 3 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1471.760172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.760172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.760172 (E_RNA) where: Base-Base interactions energy: -1016.053 where: short stacking energy: -438.824 Base-Backbone interact. energy: 1.253 local terms energy: -456.959735 where: bonds (distance) C4'-P energy: -81.176 bonds (distance) P-C4' energy: -92.317 flat angles C4'-P-C4' energy: -98.856 flat angles P-C4'-P energy: -64.072 tors. eta vs tors. theta energy: -120.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1463.093912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.093912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.093912 (E_RNA) where: Base-Base interactions energy: -1009.575 where: short stacking energy: -429.937 Base-Backbone interact. energy: -1.849 local terms energy: -451.670089 where: bonds (distance) C4'-P energy: -86.331 bonds (distance) P-C4' energy: -86.433 flat angles C4'-P-C4' energy: -93.522 flat angles P-C4'-P energy: -65.241 tors. eta vs tors. theta energy: -120.142 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: 1 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1354.218430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.218430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.218430 (E_RNA) where: Base-Base interactions energy: -962.743 where: short stacking energy: -388.374 Base-Backbone interact. energy: -2.418 local terms energy: -389.057498 where: bonds (distance) C4'-P energy: -73.437 bonds (distance) P-C4' energy: -76.570 flat angles C4'-P-C4' energy: -95.506 flat angles P-C4'-P energy: -53.686 tors. eta vs tors. theta energy: -89.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1264.985013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.985013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.985013 (E_RNA) where: Base-Base interactions energy: -870.541 where: short stacking energy: -359.999 Base-Backbone interact. energy: -2.134 local terms energy: -392.310278 where: bonds (distance) C4'-P energy: -78.083 bonds (distance) P-C4' energy: -73.474 flat angles C4'-P-C4' energy: -95.165 flat angles P-C4'-P energy: -51.828 tors. eta vs tors. theta energy: -93.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1191.755510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.755510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.755510 (E_RNA) where: Base-Base interactions energy: -815.979 where: short stacking energy: -364.577 Base-Backbone interact. energy: -2.017 local terms energy: -373.759994 where: bonds (distance) C4'-P energy: -61.174 bonds (distance) P-C4' energy: -77.480 flat angles C4'-P-C4' energy: -91.855 flat angles P-C4'-P energy: -48.798 tors. eta vs tors. theta energy: -94.453 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: 9 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1057.968788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.968788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.968788 (E_RNA) where: Base-Base interactions energy: -697.206 where: short stacking energy: -310.863 Base-Backbone interact. energy: -0.330 local terms energy: -360.432858 where: bonds (distance) C4'-P energy: -74.311 bonds (distance) P-C4' energy: -86.078 flat angles C4'-P-C4' energy: -73.344 flat angles P-C4'-P energy: -47.855 tors. eta vs tors. theta energy: -78.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1042.320200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.320200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.320200 (E_RNA) where: Base-Base interactions energy: -690.934 where: short stacking energy: -290.206 Base-Backbone interact. energy: -1.208 local terms energy: -350.177425 where: bonds (distance) C4'-P energy: -79.717 bonds (distance) P-C4' energy: -77.426 flat angles C4'-P-C4' energy: -71.555 flat angles P-C4'-P energy: -47.545 tors. eta vs tors. theta energy: -73.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -725.393370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.393370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.393370 (E_RNA) where: Base-Base interactions energy: -442.657 where: short stacking energy: -192.954 Base-Backbone interact. energy: 0.211 local terms energy: -282.947147 where: bonds (distance) C4'-P energy: -55.972 bonds (distance) P-C4' energy: -70.175 flat angles C4'-P-C4' energy: -78.525 flat angles P-C4'-P energy: -54.530 tors. eta vs tors. theta energy: -23.745 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: 4 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -560.881744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.881744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.881744 (E_RNA) where: Base-Base interactions energy: -323.109 where: short stacking energy: -177.176 Base-Backbone interact. energy: 0.869 local terms energy: -238.641434 where: bonds (distance) C4'-P energy: -63.193 bonds (distance) P-C4' energy: -64.813 flat angles C4'-P-C4' energy: -68.083 flat angles P-C4'-P energy: -29.171 tors. eta vs tors. theta energy: -13.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1526.523974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.523974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.523974 (E_RNA) where: Base-Base interactions energy: -1066.049 where: short stacking energy: -456.847 Base-Backbone interact. energy: -1.184 local terms energy: -459.290369 where: bonds (distance) C4'-P energy: -82.353 bonds (distance) P-C4' energy: -82.120 flat angles C4'-P-C4' energy: -100.020 flat angles P-C4'-P energy: -70.542 tors. eta vs tors. theta energy: -124.257 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: 3 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1480.665578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.665578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.665578 (E_RNA) where: Base-Base interactions energy: -1064.497 where: short stacking energy: -452.392 Base-Backbone interact. energy: -2.491 local terms energy: -413.677719 where: bonds (distance) C4'-P energy: -76.625 bonds (distance) P-C4' energy: -68.003 flat angles C4'-P-C4' energy: -95.013 flat angles P-C4'-P energy: -59.984 tors. eta vs tors. theta energy: -114.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1430.959099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.959099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.959099 (E_RNA) where: Base-Base interactions energy: -997.827 where: short stacking energy: -443.332 Base-Backbone interact. energy: 7.018 local terms energy: -440.149991 where: bonds (distance) C4'-P energy: -79.006 bonds (distance) P-C4' energy: -94.416 flat angles C4'-P-C4' energy: -88.066 flat angles P-C4'-P energy: -60.930 tors. eta vs tors. theta energy: -117.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1354.200412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.200412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.200412 (E_RNA) where: Base-Base interactions energy: -967.274 where: short stacking energy: -399.192 Base-Backbone interact. energy: -3.566 local terms energy: -383.359662 where: bonds (distance) C4'-P energy: -77.553 bonds (distance) P-C4' energy: -76.069 flat angles C4'-P-C4' energy: -86.086 flat angles P-C4'-P energy: -46.463 tors. eta vs tors. theta energy: -97.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1251.204556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.204556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.204556 (E_RNA) where: Base-Base interactions energy: -869.979 where: short stacking energy: -373.145 Base-Backbone interact. energy: 1.020 local terms energy: -382.246263 where: bonds (distance) C4'-P energy: -76.004 bonds (distance) P-C4' energy: -65.021 flat angles C4'-P-C4' energy: -84.475 flat angles P-C4'-P energy: -53.967 tors. eta vs tors. theta energy: -102.779 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: 10 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1179.768481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.768481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.768481 (E_RNA) where: Base-Base interactions energy: -805.175 where: short stacking energy: -358.094 Base-Backbone interact. energy: -2.242 local terms energy: -372.351297 where: bonds (distance) C4'-P energy: -77.461 bonds (distance) P-C4' energy: -67.214 flat angles C4'-P-C4' energy: -80.958 flat angles P-C4'-P energy: -47.004 tors. eta vs tors. theta energy: -99.715 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: 7 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1072.060610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.060610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.060610 (E_RNA) where: Base-Base interactions energy: -734.531 where: short stacking energy: -333.528 Base-Backbone interact. energy: -2.204 local terms energy: -335.325254 where: bonds (distance) C4'-P energy: -71.141 bonds (distance) P-C4' energy: -66.019 flat angles C4'-P-C4' energy: -68.570 flat angles P-C4'-P energy: -44.626 tors. eta vs tors. theta energy: -84.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -972.259988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.259988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.259988 (E_RNA) where: Base-Base interactions energy: -618.685 where: short stacking energy: -280.121 Base-Backbone interact. energy: -0.996 local terms energy: -352.579304 where: bonds (distance) C4'-P energy: -68.461 bonds (distance) P-C4' energy: -86.911 flat angles C4'-P-C4' energy: -70.115 flat angles P-C4'-P energy: -47.831 tors. eta vs tors. theta energy: -79.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -753.598349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.598349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.598349 (E_RNA) where: Base-Base interactions energy: -486.258 where: short stacking energy: -234.994 Base-Backbone interact. energy: 1.600 local terms energy: -268.940883 where: bonds (distance) C4'-P energy: -63.837 bonds (distance) P-C4' energy: -74.163 flat angles C4'-P-C4' energy: -68.969 flat angles P-C4'-P energy: -31.357 tors. eta vs tors. theta energy: -30.614 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: 4 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -618.707167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.707167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.707167 (E_RNA) where: Base-Base interactions energy: -351.548 where: short stacking energy: -177.275 Base-Backbone interact. energy: -1.819 local terms energy: -265.340550 where: bonds (distance) C4'-P energy: -78.021 bonds (distance) P-C4' energy: -71.901 flat angles C4'-P-C4' energy: -72.967 flat angles P-C4'-P energy: -24.596 tors. eta vs tors. theta energy: -17.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1526.068298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.068298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.068298 (E_RNA) where: Base-Base interactions energy: -1057.475 where: short stacking energy: -449.286 Base-Backbone interact. energy: -0.763 local terms energy: -467.829992 where: bonds (distance) C4'-P energy: -89.875 bonds (distance) P-C4' energy: -83.224 flat angles C4'-P-C4' energy: -99.080 flat angles P-C4'-P energy: -73.805 tors. eta vs tors. theta energy: -121.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1499.042968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.042968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.042968 (E_RNA) where: Base-Base interactions energy: -1027.883 where: short stacking energy: -449.314 Base-Backbone interact. energy: -4.959 local terms energy: -466.201187 where: bonds (distance) C4'-P energy: -81.991 bonds (distance) P-C4' energy: -85.727 flat angles C4'-P-C4' energy: -103.128 flat angles P-C4'-P energy: -70.809 tors. eta vs tors. theta energy: -124.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1436.798820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.798820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.798820 (E_RNA) where: Base-Base interactions energy: -1000.736 where: short stacking energy: -438.718 Base-Backbone interact. energy: -0.018 local terms energy: -436.044078 where: bonds (distance) C4'-P energy: -83.422 bonds (distance) P-C4' energy: -85.022 flat angles C4'-P-C4' energy: -89.093 flat angles P-C4'-P energy: -56.484 tors. eta vs tors. theta energy: -122.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1320.748341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.748341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.748341 (E_RNA) where: Base-Base interactions energy: -923.086 where: short stacking energy: -384.533 Base-Backbone interact. energy: -0.433 local terms energy: -397.228570 where: bonds (distance) C4'-P energy: -76.533 bonds (distance) P-C4' energy: -84.367 flat angles C4'-P-C4' energy: -86.326 flat angles P-C4'-P energy: -54.419 tors. eta vs tors. theta energy: -95.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -1292.053201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.053201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.053201 (E_RNA) where: Base-Base interactions energy: -877.424 where: short stacking energy: -392.811 Base-Backbone interact. energy: 6.448 local terms energy: -421.077585 where: bonds (distance) C4'-P energy: -73.113 bonds (distance) P-C4' energy: -86.983 flat angles C4'-P-C4' energy: -85.015 flat angles P-C4'-P energy: -68.253 tors. eta vs tors. theta energy: -107.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1168.015451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.015451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.015451 (E_RNA) where: Base-Base interactions energy: -800.162 where: short stacking energy: -350.401 Base-Backbone interact. energy: -0.326 local terms energy: -367.526808 where: bonds (distance) C4'-P energy: -72.989 bonds (distance) P-C4' energy: -71.843 flat angles C4'-P-C4' energy: -76.697 flat angles P-C4'-P energy: -49.587 tors. eta vs tors. theta energy: -96.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1077.040068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.040068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.040068 (E_RNA) where: Base-Base interactions energy: -707.179 where: short stacking energy: -331.862 Base-Backbone interact. energy: -0.038 local terms energy: -369.822642 where: bonds (distance) C4'-P energy: -73.366 bonds (distance) P-C4' energy: -84.217 flat angles C4'-P-C4' energy: -87.126 flat angles P-C4'-P energy: -52.240 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: 8, replica: 9 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -940.145261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.145261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.145261 (E_RNA) where: Base-Base interactions energy: -621.483 where: short stacking energy: -272.288 Base-Backbone interact. energy: -0.587 local terms energy: -318.075196 where: bonds (distance) C4'-P energy: -73.730 bonds (distance) P-C4' energy: -70.019 flat angles C4'-P-C4' energy: -84.568 flat angles P-C4'-P energy: -32.406 tors. eta vs tors. theta energy: -57.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -757.884400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.884400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.884400 (E_RNA) where: Base-Base interactions energy: -502.941 where: short stacking energy: -232.026 Base-Backbone interact. energy: 2.729 local terms energy: -257.672203 where: bonds (distance) C4'-P energy: -68.316 bonds (distance) P-C4' energy: -52.656 flat angles C4'-P-C4' energy: -53.714 flat angles P-C4'-P energy: -45.308 tors. eta vs tors. theta energy: -37.677 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: 4 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -578.072525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.072525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.072525 (E_RNA) where: Base-Base interactions energy: -346.653 where: short stacking energy: -207.885 Base-Backbone interact. energy: 5.360 local terms energy: -236.779151 where: bonds (distance) C4'-P energy: -49.457 bonds (distance) P-C4' energy: -72.361 flat angles C4'-P-C4' energy: -67.978 flat angles P-C4'-P energy: -32.463 tors. eta vs tors. theta energy: -14.520 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: 2 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1534.692702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.692702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.692702 (E_RNA) where: Base-Base interactions energy: -1085.269 where: short stacking energy: -475.492 Base-Backbone interact. energy: -0.630 local terms energy: -448.792977 where: bonds (distance) C4'-P energy: -70.783 bonds (distance) P-C4' energy: -86.281 flat angles C4'-P-C4' energy: -100.841 flat angles P-C4'-P energy: -67.566 tors. eta vs tors. theta energy: -123.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1509.277052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.277052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.277052 (E_RNA) where: Base-Base interactions energy: -1062.507 where: short stacking energy: -448.470 Base-Backbone interact. energy: 2.727 local terms energy: -449.496179 where: bonds (distance) C4'-P energy: -79.779 bonds (distance) P-C4' energy: -85.955 flat angles C4'-P-C4' energy: -96.333 flat angles P-C4'-P energy: -59.993 tors. eta vs tors. theta energy: -127.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1424.468717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.468717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.468717 (E_RNA) where: Base-Base interactions energy: -984.290 where: short stacking energy: -427.882 Base-Backbone interact. energy: -1.656 local terms energy: -438.522583 where: bonds (distance) C4'-P energy: -71.849 bonds (distance) P-C4' energy: -88.939 flat angles C4'-P-C4' energy: -97.393 flat angles P-C4'-P energy: -64.281 tors. eta vs tors. theta energy: -116.062 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: 1 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1284.502083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.502083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.502083 (E_RNA) where: Base-Base interactions energy: -887.906 where: short stacking energy: -356.695 Base-Backbone interact. energy: -3.781 local terms energy: -392.815133 where: bonds (distance) C4'-P energy: -79.367 bonds (distance) P-C4' energy: -81.038 flat angles C4'-P-C4' energy: -79.364 flat angles P-C4'-P energy: -54.484 tors. eta vs tors. theta energy: -98.561 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: 5, replica: 6 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1261.079077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.079077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.079077 (E_RNA) where: Base-Base interactions energy: -851.732 where: short stacking energy: -383.729 Base-Backbone interact. energy: -2.661 local terms energy: -406.685792 where: bonds (distance) C4'-P energy: -78.290 bonds (distance) P-C4' energy: -73.989 flat angles C4'-P-C4' energy: -94.427 flat angles P-C4'-P energy: -49.793 tors. eta vs tors. theta energy: -110.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1205.715324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.715324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.715324 (E_RNA) where: Base-Base interactions energy: -825.140 where: short stacking energy: -355.544 Base-Backbone interact. energy: 1.262 local terms energy: -381.837454 where: bonds (distance) C4'-P energy: -64.293 bonds (distance) P-C4' energy: -76.606 flat angles C4'-P-C4' energy: -90.045 flat angles P-C4'-P energy: -54.756 tors. eta vs tors. theta energy: -96.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1068.689602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.689602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.689602 (E_RNA) where: Base-Base interactions energy: -728.219 where: short stacking energy: -338.404 Base-Backbone interact. energy: 2.041 local terms energy: -342.511575 where: bonds (distance) C4'-P energy: -64.373 bonds (distance) P-C4' energy: -67.191 flat angles C4'-P-C4' energy: -89.669 flat angles P-C4'-P energy: -46.474 tors. eta vs tors. theta energy: -74.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -924.854811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.854811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.854811 (E_RNA) where: Base-Base interactions energy: -596.850 where: short stacking energy: -269.111 Base-Backbone interact. energy: 3.374 local terms energy: -331.379085 where: bonds (distance) C4'-P energy: -66.196 bonds (distance) P-C4' energy: -78.238 flat angles C4'-P-C4' energy: -82.298 flat angles P-C4'-P energy: -48.799 tors. eta vs tors. theta energy: -55.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -729.936146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.936146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.936146 (E_RNA) where: Base-Base interactions energy: -453.552 where: short stacking energy: -223.731 Base-Backbone interact. energy: 1.157 local terms energy: -277.540371 where: bonds (distance) C4'-P energy: -60.130 bonds (distance) P-C4' energy: -72.570 flat angles C4'-P-C4' energy: -65.375 flat angles P-C4'-P energy: -51.908 tors. eta vs tors. theta energy: -27.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -575.614381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.614381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.614381 (E_RNA) where: Base-Base interactions energy: -347.395 where: short stacking energy: -174.053 Base-Backbone interact. energy: 2.437 local terms energy: -230.656977 where: bonds (distance) C4'-P energy: -61.691 bonds (distance) P-C4' energy: -73.298 flat angles C4'-P-C4' energy: -62.381 flat angles P-C4'-P energy: -23.536 tors. eta vs tors. theta energy: -9.751 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: 1, replica: 2 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1524.333662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.333662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.333662 (E_RNA) where: Base-Base interactions energy: -1076.902 where: short stacking energy: -455.881 Base-Backbone interact. energy: -1.314 local terms energy: -446.116953 where: bonds (distance) C4'-P energy: -85.528 bonds (distance) P-C4' energy: -81.932 flat angles C4'-P-C4' energy: -97.360 flat angles P-C4'-P energy: -61.458 tors. eta vs tors. theta energy: -119.838 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: 2, replica: 3 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1487.693588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.693588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.693588 (E_RNA) where: Base-Base interactions energy: -1052.521 where: short stacking energy: -442.588 Base-Backbone interact. energy: 1.149 local terms energy: -436.321147 where: bonds (distance) C4'-P energy: -90.008 bonds (distance) P-C4' energy: -74.220 flat angles C4'-P-C4' energy: -88.805 flat angles P-C4'-P energy: -63.737 tors. eta vs tors. theta energy: -119.551 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: 3, replica: 8 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1419.052240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.052240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.052240 (E_RNA) where: Base-Base interactions energy: -993.997 where: short stacking energy: -441.491 Base-Backbone interact. energy: -1.287 local terms energy: -423.767528 where: bonds (distance) C4'-P energy: -77.154 bonds (distance) P-C4' energy: -79.668 flat angles C4'-P-C4' energy: -90.198 flat angles P-C4'-P energy: -52.541 tors. eta vs tors. theta energy: -124.206 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: 6 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -1280.391319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.391319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.391319 (E_RNA) where: Base-Base interactions energy: -887.556 where: short stacking energy: -380.182 Base-Backbone interact. energy: -0.627 local terms energy: -392.208591 where: bonds (distance) C4'-P energy: -68.780 bonds (distance) P-C4' energy: -80.371 flat angles C4'-P-C4' energy: -86.532 flat angles P-C4'-P energy: -51.798 tors. eta vs tors. theta energy: -104.727 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: 1 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1262.784794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.784794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.784794 (E_RNA) where: Base-Base interactions energy: -886.530 where: short stacking energy: -348.720 Base-Backbone interact. energy: -2.183 local terms energy: -374.072488 where: bonds (distance) C4'-P energy: -77.523 bonds (distance) P-C4' energy: -78.775 flat angles C4'-P-C4' energy: -81.955 flat angles P-C4'-P energy: -54.282 tors. eta vs tors. theta energy: -81.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1237.799541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.799541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.799541 (E_RNA) where: Base-Base interactions energy: -856.114 where: short stacking energy: -367.143 Base-Backbone interact. energy: -4.067 local terms energy: -377.618305 where: bonds (distance) C4'-P energy: -68.684 bonds (distance) P-C4' energy: -80.322 flat angles C4'-P-C4' energy: -86.131 flat angles P-C4'-P energy: -40.854 tors. eta vs tors. theta energy: -101.628 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: 7 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1091.728269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.728269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.728269 (E_RNA) where: Base-Base interactions energy: -729.783 where: short stacking energy: -324.083 Base-Backbone interact. energy: 0.987 local terms energy: -362.932453 where: bonds (distance) C4'-P energy: -58.017 bonds (distance) P-C4' energy: -80.578 flat angles C4'-P-C4' energy: -86.656 flat angles P-C4'-P energy: -47.279 tors. eta vs tors. theta energy: -90.402 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: 9 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -920.140266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.140266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.140266 (E_RNA) where: Base-Base interactions energy: -615.248 where: short stacking energy: -295.434 Base-Backbone interact. energy: 1.444 local terms energy: -306.336241 where: bonds (distance) C4'-P energy: -61.029 bonds (distance) P-C4' energy: -72.267 flat angles C4'-P-C4' energy: -60.195 flat angles P-C4'-P energy: -45.396 tors. eta vs tors. theta energy: -67.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -771.022737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.022737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.022737 (E_RNA) where: Base-Base interactions energy: -483.500 where: short stacking energy: -227.303 Base-Backbone interact. energy: 1.242 local terms energy: -288.764716 where: bonds (distance) C4'-P energy: -87.637 bonds (distance) P-C4' energy: -71.402 flat angles C4'-P-C4' energy: -59.656 flat angles P-C4'-P energy: -40.715 tors. eta vs tors. theta energy: -29.355 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: 4 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -556.644357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.644357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.644357 (E_RNA) where: Base-Base interactions energy: -316.803 where: short stacking energy: -161.149 Base-Backbone interact. energy: -0.888 local terms energy: -238.953071 where: bonds (distance) C4'-P energy: -56.024 bonds (distance) P-C4' energy: -63.033 flat angles C4'-P-C4' energy: -55.748 flat angles P-C4'-P energy: -41.869 tors. eta vs tors. theta energy: -22.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1525.957222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.957222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.957222 (E_RNA) where: Base-Base interactions energy: -1073.133 where: short stacking energy: -475.163 Base-Backbone interact. energy: -2.059 local terms energy: -450.765904 where: bonds (distance) C4'-P energy: -76.952 bonds (distance) P-C4' energy: -94.307 flat angles C4'-P-C4' energy: -93.646 flat angles P-C4'-P energy: -55.545 tors. eta vs tors. theta energy: -130.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1501.296244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.296244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.296244 (E_RNA) where: Base-Base interactions energy: -1057.143 where: short stacking energy: -466.103 Base-Backbone interact. energy: -1.564 local terms energy: -442.589131 where: bonds (distance) C4'-P energy: -69.599 bonds (distance) P-C4' energy: -79.846 flat angles C4'-P-C4' energy: -99.299 flat angles P-C4'-P energy: -66.096 tors. eta vs tors. theta energy: -127.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1448.505772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.505772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.505772 (E_RNA) where: Base-Base interactions energy: -1011.593 where: short stacking energy: -440.563 Base-Backbone interact. energy: -0.144 local terms energy: -436.768605 where: bonds (distance) C4'-P energy: -81.726 bonds (distance) P-C4' energy: -78.007 flat angles C4'-P-C4' energy: -88.780 flat angles P-C4'-P energy: -67.653 tors. eta vs tors. theta energy: -120.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1287.068346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.068346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.068346 (E_RNA) where: Base-Base interactions energy: -900.160 where: short stacking energy: -402.804 Base-Backbone interact. energy: -2.315 local terms energy: -384.593303 where: bonds (distance) C4'-P energy: -72.635 bonds (distance) P-C4' energy: -80.109 flat angles C4'-P-C4' energy: -67.277 flat angles P-C4'-P energy: -63.928 tors. eta vs tors. theta energy: -100.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -1276.624413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.624413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.624413 (E_RNA) where: Base-Base interactions energy: -897.496 where: short stacking energy: -358.277 Base-Backbone interact. energy: -3.780 local terms energy: -375.348319 where: bonds (distance) C4'-P energy: -80.196 bonds (distance) P-C4' energy: -66.735 flat angles C4'-P-C4' energy: -78.843 flat angles P-C4'-P energy: -57.920 tors. eta vs tors. theta energy: -91.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1217.434682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.434682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.434682 (E_RNA) where: Base-Base interactions energy: -837.972 where: short stacking energy: -344.736 Base-Backbone interact. energy: -1.777 local terms energy: -377.685281 where: bonds (distance) C4'-P energy: -70.341 bonds (distance) P-C4' energy: -72.756 flat angles C4'-P-C4' energy: -87.504 flat angles P-C4'-P energy: -55.891 tors. eta vs tors. theta energy: -91.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1107.149376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.149376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.149376 (E_RNA) where: Base-Base interactions energy: -712.861 where: short stacking energy: -330.157 Base-Backbone interact. energy: -0.060 local terms energy: -394.228882 where: bonds (distance) C4'-P energy: -82.904 bonds (distance) P-C4' energy: -84.070 flat angles C4'-P-C4' energy: -75.541 flat angles P-C4'-P energy: -56.457 tors. eta vs tors. theta energy: -95.257 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: 9 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -978.705317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.705317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.705317 (E_RNA) where: Base-Base interactions energy: -664.121 where: short stacking energy: -305.629 Base-Backbone interact. energy: 0.520 local terms energy: -315.104908 where: bonds (distance) C4'-P energy: -57.635 bonds (distance) P-C4' energy: -70.015 flat angles C4'-P-C4' energy: -63.242 flat angles P-C4'-P energy: -57.021 tors. eta vs tors. theta energy: -67.193 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: 5 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -693.636767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.636767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.636767 (E_RNA) where: Base-Base interactions energy: -420.808 where: short stacking energy: -191.528 Base-Backbone interact. energy: 2.553 local terms energy: -275.381602 where: bonds (distance) C4'-P energy: -72.053 bonds (distance) P-C4' energy: -64.127 flat angles C4'-P-C4' energy: -75.640 flat angles P-C4'-P energy: -35.272 tors. eta vs tors. theta energy: -28.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -538.327835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.327835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.327835 (E_RNA) where: Base-Base interactions energy: -309.787 where: short stacking energy: -181.220 Base-Backbone interact. energy: -1.329 local terms energy: -227.211701 where: bonds (distance) C4'-P energy: -47.143 bonds (distance) P-C4' energy: -68.124 flat angles C4'-P-C4' energy: -55.359 flat angles P-C4'-P energy: -38.232 tors. eta vs tors. theta energy: -18.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1524.172465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.172465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.172465 (E_RNA) where: Base-Base interactions energy: -1079.241 where: short stacking energy: -459.899 Base-Backbone interact. energy: -1.045 local terms energy: -443.885892 where: bonds (distance) C4'-P energy: -81.113 bonds (distance) P-C4' energy: -80.575 flat angles C4'-P-C4' energy: -90.573 flat angles P-C4'-P energy: -55.924 tors. eta vs tors. theta energy: -135.700 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: 2, replica: 2 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1480.366637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.366637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.366637 (E_RNA) where: Base-Base interactions energy: -1024.488 where: short stacking energy: -448.869 Base-Backbone interact. energy: 0.719 local terms energy: -456.597362 where: bonds (distance) C4'-P energy: -83.606 bonds (distance) P-C4' energy: -90.292 flat angles C4'-P-C4' energy: -95.630 flat angles P-C4'-P energy: -59.792 tors. eta vs tors. theta energy: -127.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1424.936917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.936917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.936917 (E_RNA) where: Base-Base interactions energy: -984.188 where: short stacking energy: -412.566 Base-Backbone interact. energy: -1.025 local terms energy: -439.723825 where: bonds (distance) C4'-P energy: -79.850 bonds (distance) P-C4' energy: -81.993 flat angles C4'-P-C4' energy: -97.209 flat angles P-C4'-P energy: -63.378 tors. eta vs tors. theta energy: -117.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1311.180729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.180729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.180729 (E_RNA) where: Base-Base interactions energy: -936.687 where: short stacking energy: -380.174 Base-Backbone interact. energy: -0.903 local terms energy: -373.591482 where: bonds (distance) C4'-P energy: -63.330 bonds (distance) P-C4' energy: -76.290 flat angles C4'-P-C4' energy: -80.991 flat angles P-C4'-P energy: -51.175 tors. eta vs tors. theta energy: -101.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1291.750397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.750397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.750397 (E_RNA) where: Base-Base interactions energy: -874.358 where: short stacking energy: -381.688 Base-Backbone interact. energy: -1.394 local terms energy: -415.997908 where: bonds (distance) C4'-P energy: -76.751 bonds (distance) P-C4' energy: -86.313 flat angles C4'-P-C4' energy: -79.569 flat angles P-C4'-P energy: -67.269 tors. eta vs tors. theta energy: -106.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1209.546450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.546450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.546450 (E_RNA) where: Base-Base interactions energy: -849.872 where: short stacking energy: -357.527 Base-Backbone interact. energy: -3.747 local terms energy: -355.927157 where: bonds (distance) C4'-P energy: -58.907 bonds (distance) P-C4' energy: -73.497 flat angles C4'-P-C4' energy: -83.043 flat angles P-C4'-P energy: -53.331 tors. eta vs tors. theta energy: -87.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1076.640666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.640666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.640666 (E_RNA) where: Base-Base interactions energy: -715.747 where: short stacking energy: -323.483 Base-Backbone interact. energy: -1.576 local terms energy: -359.316963 where: bonds (distance) C4'-P energy: -64.500 bonds (distance) P-C4' energy: -80.319 flat angles C4'-P-C4' energy: -73.386 flat angles P-C4'-P energy: -51.642 tors. eta vs tors. theta energy: -89.470 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: 9 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -917.015276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.015276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.015276 (E_RNA) where: Base-Base interactions energy: -606.801 where: short stacking energy: -273.156 Base-Backbone interact. energy: -0.315 local terms energy: -309.899218 where: bonds (distance) C4'-P energy: -73.680 bonds (distance) P-C4' energy: -66.111 flat angles C4'-P-C4' energy: -62.140 flat angles P-C4'-P energy: -42.416 tors. eta vs tors. theta energy: -65.553 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: 5 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -783.336110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.336110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.336110 (E_RNA) where: Base-Base interactions energy: -460.808 where: short stacking energy: -217.049 Base-Backbone interact. energy: -1.952 local terms energy: -320.575794 where: bonds (distance) C4'-P energy: -80.869 bonds (distance) P-C4' energy: -67.735 flat angles C4'-P-C4' energy: -82.025 flat angles P-C4'-P energy: -42.938 tors. eta vs tors. theta energy: -47.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -544.639116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.639116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.639116 (E_RNA) where: Base-Base interactions energy: -306.143 where: short stacking energy: -173.535 Base-Backbone interact. energy: -0.415 local terms energy: -238.080694 where: bonds (distance) C4'-P energy: -63.076 bonds (distance) P-C4' energy: -66.249 flat angles C4'-P-C4' energy: -66.315 flat angles P-C4'-P energy: -18.608 tors. eta vs tors. theta energy: -23.833 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: 3 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1530.197154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.197154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.197154 (E_RNA) where: Base-Base interactions energy: -1061.858 where: short stacking energy: -463.667 Base-Backbone interact. energy: -1.022 local terms energy: -467.317279 where: bonds (distance) C4'-P energy: -87.787 bonds (distance) P-C4' energy: -81.818 flat angles C4'-P-C4' energy: -97.869 flat angles P-C4'-P energy: -68.113 tors. eta vs tors. theta energy: -131.730 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: 2 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1476.175886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.175886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.175886 (E_RNA) where: Base-Base interactions energy: -1031.201 where: short stacking energy: -441.821 Base-Backbone interact. energy: -2.190 local terms energy: -442.784498 where: bonds (distance) C4'-P energy: -81.129 bonds (distance) P-C4' energy: -78.096 flat angles C4'-P-C4' energy: -93.572 flat angles P-C4'-P energy: -65.164 tors. eta vs tors. theta energy: -124.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1403.317399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.317399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.317399 (E_RNA) where: Base-Base interactions energy: -983.307 where: short stacking energy: -418.946 Base-Backbone interact. energy: -2.517 local terms energy: -417.493240 where: bonds (distance) C4'-P energy: -75.869 bonds (distance) P-C4' energy: -79.749 flat angles C4'-P-C4' energy: -91.642 flat angles P-C4'-P energy: -61.745 tors. eta vs tors. theta energy: -108.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1314.185901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.185901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.185901 (E_RNA) where: Base-Base interactions energy: -906.814 where: short stacking energy: -376.570 Base-Backbone interact. energy: -0.106 local terms energy: -407.266008 where: bonds (distance) C4'-P energy: -81.619 bonds (distance) P-C4' energy: -76.206 flat angles C4'-P-C4' energy: -95.886 flat angles P-C4'-P energy: -59.585 tors. eta vs tors. theta energy: -93.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1198.591933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.591933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.591933 (E_RNA) where: Base-Base interactions energy: -799.235 where: short stacking energy: -370.068 Base-Backbone interact. energy: 0.929 local terms energy: -400.285418 where: bonds (distance) C4'-P energy: -80.725 bonds (distance) P-C4' energy: -82.365 flat angles C4'-P-C4' energy: -79.710 flat angles P-C4'-P energy: -66.725 tors. eta vs tors. theta energy: -90.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1226.607723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.607723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.607723 (E_RNA) where: Base-Base interactions energy: -840.962 where: short stacking energy: -350.046 Base-Backbone interact. energy: -1.241 local terms energy: -384.404125 where: bonds (distance) C4'-P energy: -74.327 bonds (distance) P-C4' energy: -69.137 flat angles C4'-P-C4' energy: -93.537 flat angles P-C4'-P energy: -53.806 tors. eta vs tors. theta energy: -93.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -948.146510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.146510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.146510 (E_RNA) where: Base-Base interactions energy: -611.600 where: short stacking energy: -280.556 Base-Backbone interact. energy: -1.646 local terms energy: -334.900452 where: bonds (distance) C4'-P energy: -64.027 bonds (distance) P-C4' energy: -71.878 flat angles C4'-P-C4' energy: -76.149 flat angles P-C4'-P energy: -45.733 tors. eta vs tors. theta energy: -77.113 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: 8, replica: 7 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1051.933115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.933115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.933115 (E_RNA) where: Base-Base interactions energy: -678.674 where: short stacking energy: -301.251 Base-Backbone interact. energy: -1.192 local terms energy: -372.067275 where: bonds (distance) C4'-P energy: -81.447 bonds (distance) P-C4' energy: -69.446 flat angles C4'-P-C4' energy: -91.989 flat angles P-C4'-P energy: -54.351 tors. eta vs tors. theta energy: -74.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -714.027643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.027643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.027643 (E_RNA) where: Base-Base interactions energy: -432.296 where: short stacking energy: -199.602 Base-Backbone interact. energy: -1.821 local terms energy: -279.911356 where: bonds (distance) C4'-P energy: -67.225 bonds (distance) P-C4' energy: -76.949 flat angles C4'-P-C4' energy: -63.222 flat angles P-C4'-P energy: -48.350 tors. eta vs tors. theta energy: -24.166 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: 4 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -580.144365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.144365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.144365 (E_RNA) where: Base-Base interactions energy: -353.250 where: short stacking energy: -178.043 Base-Backbone interact. energy: 0.502 local terms energy: -227.395891 where: bonds (distance) C4'-P energy: -65.891 bonds (distance) P-C4' energy: -75.080 flat angles C4'-P-C4' energy: -55.113 flat angles P-C4'-P energy: -17.775 tors. eta vs tors. theta energy: -13.536 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: 3 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1538.073887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.073887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.073887 (E_RNA) where: Base-Base interactions energy: -1070.753 where: short stacking energy: -476.421 Base-Backbone interact. energy: -2.502 local terms energy: -464.819561 where: bonds (distance) C4'-P energy: -84.757 bonds (distance) P-C4' energy: -84.771 flat angles C4'-P-C4' energy: -91.597 flat angles P-C4'-P energy: -69.227 tors. eta vs tors. theta energy: -134.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1480.684445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.684445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.684445 (E_RNA) where: Base-Base interactions energy: -1020.871 where: short stacking energy: -443.488 Base-Backbone interact. energy: -2.327 local terms energy: -457.485918 where: bonds (distance) C4'-P energy: -84.839 bonds (distance) P-C4' energy: -80.606 flat angles C4'-P-C4' energy: -93.809 flat angles P-C4'-P energy: -69.235 tors. eta vs tors. theta energy: -128.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -1402.879517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.879517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.879517 (E_RNA) where: Base-Base interactions energy: -982.295 where: short stacking energy: -431.023 Base-Backbone interact. energy: 1.752 local terms energy: -422.335739 where: bonds (distance) C4'-P energy: -78.413 bonds (distance) P-C4' energy: -76.446 flat angles C4'-P-C4' energy: -89.251 flat angles P-C4'-P energy: -63.327 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: 4, replica: 6 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1259.250231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.250231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.250231 (E_RNA) where: Base-Base interactions energy: -867.225 where: short stacking energy: -400.728 Base-Backbone interact. energy: -1.216 local terms energy: -390.808945 where: bonds (distance) C4'-P energy: -61.026 bonds (distance) P-C4' energy: -70.646 flat angles C4'-P-C4' energy: -89.791 flat angles P-C4'-P energy: -56.493 tors. eta vs tors. theta energy: -112.854 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: 5, replica: 1 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -1261.260114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.260114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.260114 (E_RNA) where: Base-Base interactions energy: -884.467 where: short stacking energy: -359.736 Base-Backbone interact. energy: -2.044 local terms energy: -374.749848 where: bonds (distance) C4'-P energy: -78.134 bonds (distance) P-C4' energy: -63.845 flat angles C4'-P-C4' energy: -90.045 flat angles P-C4'-P energy: -61.630 tors. eta vs tors. theta energy: -81.095 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: 253 Temperature: 1.150000 Total energy: -1230.270741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.270741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.270741 (E_RNA) where: Base-Base interactions energy: -837.580 where: short stacking energy: -366.863 Base-Backbone interact. energy: 0.908 local terms energy: -393.598642 where: bonds (distance) C4'-P energy: -64.775 bonds (distance) P-C4' energy: -75.368 flat angles C4'-P-C4' energy: -87.320 flat angles P-C4'-P energy: -57.737 tors. eta vs tors. theta energy: -108.398 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: 7, replica: 9 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -956.754787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.754787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.754787 (E_RNA) where: Base-Base interactions energy: -630.136 where: short stacking energy: -285.651 Base-Backbone interact. energy: 0.852 local terms energy: -327.471218 where: bonds (distance) C4'-P energy: -60.676 bonds (distance) P-C4' energy: -77.298 flat angles C4'-P-C4' energy: -78.616 flat angles P-C4'-P energy: -51.284 tors. eta vs tors. theta energy: -59.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1002.468093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.468093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.468093 (E_RNA) where: Base-Base interactions energy: -691.772 where: short stacking energy: -303.738 Base-Backbone interact. energy: 1.406 local terms energy: -312.101892 where: bonds (distance) C4'-P energy: -69.163 bonds (distance) P-C4' energy: -49.985 flat angles C4'-P-C4' energy: -67.932 flat angles P-C4'-P energy: -47.977 tors. eta vs tors. theta energy: -77.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -727.708365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.708365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.708365 (E_RNA) where: Base-Base interactions energy: -451.910 where: short stacking energy: -197.618 Base-Backbone interact. energy: -0.518 local terms energy: -275.280266 where: bonds (distance) C4'-P energy: -56.532 bonds (distance) P-C4' energy: -74.204 flat angles C4'-P-C4' energy: -77.861 flat angles P-C4'-P energy: -46.953 tors. eta vs tors. theta energy: -19.731 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: 4 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -549.885653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.885653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.885653 (E_RNA) where: Base-Base interactions energy: -294.802 where: short stacking energy: -165.678 Base-Backbone interact. energy: 3.100 local terms energy: -258.183929 where: bonds (distance) C4'-P energy: -74.920 bonds (distance) P-C4' energy: -81.979 flat angles C4'-P-C4' energy: -61.987 flat angles P-C4'-P energy: -32.848 tors. eta vs tors. theta energy: -6.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1538.326147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.326147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.326147 (E_RNA) where: Base-Base interactions energy: -1085.252 where: short stacking energy: -466.433 Base-Backbone interact. energy: -1.113 local terms energy: -451.960383 where: bonds (distance) C4'-P energy: -82.170 bonds (distance) P-C4' energy: -78.365 flat angles C4'-P-C4' energy: -100.932 flat angles P-C4'-P energy: -62.201 tors. eta vs tors. theta energy: -128.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1487.728450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.728450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.728450 (E_RNA) where: Base-Base interactions energy: -1032.417 where: short stacking energy: -440.194 Base-Backbone interact. energy: -0.505 local terms energy: -454.806101 where: bonds (distance) C4'-P energy: -91.915 bonds (distance) P-C4' energy: -92.889 flat angles C4'-P-C4' energy: -89.436 flat angles P-C4'-P energy: -57.950 tors. eta vs tors. theta energy: -122.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1399.313536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.313536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.313536 (E_RNA) where: Base-Base interactions energy: -961.963 where: short stacking energy: -415.768 Base-Backbone interact. energy: -0.968 local terms energy: -436.382493 where: bonds (distance) C4'-P energy: -76.534 bonds (distance) P-C4' energy: -80.930 flat angles C4'-P-C4' energy: -101.080 flat angles P-C4'-P energy: -65.274 tors. eta vs tors. theta energy: -112.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1262.068669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.068669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.068669 (E_RNA) where: Base-Base interactions energy: -870.846 where: short stacking energy: -365.156 Base-Backbone interact. energy: -0.449 local terms energy: -390.773403 where: bonds (distance) C4'-P energy: -69.871 bonds (distance) P-C4' energy: -80.635 flat angles C4'-P-C4' energy: -79.879 flat angles P-C4'-P energy: -60.205 tors. eta vs tors. theta energy: -100.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1275.738535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.738535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.738535 (E_RNA) where: Base-Base interactions energy: -869.808 where: short stacking energy: -384.335 Base-Backbone interact. energy: -1.998 local terms energy: -403.932511 where: bonds (distance) C4'-P energy: -77.654 bonds (distance) P-C4' energy: -79.266 flat angles C4'-P-C4' energy: -88.308 flat angles P-C4'-P energy: -54.678 tors. eta vs tors. theta energy: -104.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1199.662609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.662609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.662609 (E_RNA) where: Base-Base interactions energy: -840.793 where: short stacking energy: -345.973 Base-Backbone interact. energy: -1.339 local terms energy: -357.530571 where: bonds (distance) C4'-P energy: -69.740 bonds (distance) P-C4' energy: -83.080 flat angles C4'-P-C4' energy: -76.280 flat angles P-C4'-P energy: -53.760 tors. eta vs tors. theta energy: -74.671 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: 7, replica: 7 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1038.139519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.139519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.139519 (E_RNA) where: Base-Base interactions energy: -710.202 where: short stacking energy: -318.145 Base-Backbone interact. energy: -0.697 local terms energy: -327.241274 where: bonds (distance) C4'-P energy: -66.986 bonds (distance) P-C4' energy: -75.959 flat angles C4'-P-C4' energy: -70.202 flat angles P-C4'-P energy: -39.795 tors. eta vs tors. theta energy: -74.299 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: 9 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -955.607107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.607107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.607107 (E_RNA) where: Base-Base interactions energy: -618.580 where: short stacking energy: -287.988 Base-Backbone interact. energy: -1.561 local terms energy: -335.465994 where: bonds (distance) C4'-P energy: -69.929 bonds (distance) P-C4' energy: -76.727 flat angles C4'-P-C4' energy: -70.020 flat angles P-C4'-P energy: -47.088 tors. eta vs tors. theta energy: -71.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -776.220040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.220040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.220040 (E_RNA) where: Base-Base interactions energy: -487.651 where: short stacking energy: -230.182 Base-Backbone interact. energy: -0.898 local terms energy: -287.671751 where: bonds (distance) C4'-P energy: -62.770 bonds (distance) P-C4' energy: -69.360 flat angles C4'-P-C4' energy: -72.770 flat angles P-C4'-P energy: -44.206 tors. eta vs tors. theta energy: -38.566 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: 4 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -593.099961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.099961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.099961 (E_RNA) where: Base-Base interactions energy: -319.461 where: short stacking energy: -142.981 Base-Backbone interact. energy: -0.639 local terms energy: -273.000530 where: bonds (distance) C4'-P energy: -71.740 bonds (distance) P-C4' energy: -77.636 flat angles C4'-P-C4' energy: -70.062 flat angles P-C4'-P energy: -34.884 tors. eta vs tors. theta energy: -18.679 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: 3 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1523.696680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.696680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.696680 (E_RNA) where: Base-Base interactions energy: -1047.985 where: short stacking energy: -457.870 Base-Backbone interact. energy: -2.016 local terms energy: -473.695963 where: bonds (distance) C4'-P energy: -86.464 bonds (distance) P-C4' energy: -87.707 flat angles C4'-P-C4' energy: -96.012 flat angles P-C4'-P energy: -61.478 tors. eta vs tors. theta energy: -142.035 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: 2, replica: 2 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1509.534589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.534589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.534589 (E_RNA) where: Base-Base interactions energy: -1044.693 where: short stacking energy: -448.824 Base-Backbone interact. energy: -1.882 local terms energy: -462.960451 where: bonds (distance) C4'-P energy: -86.089 bonds (distance) P-C4' energy: -89.419 flat angles C4'-P-C4' energy: -94.133 flat angles P-C4'-P energy: -66.592 tors. eta vs tors. theta energy: -126.728 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: 8 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1424.763894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.763894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.763894 (E_RNA) where: Base-Base interactions energy: -1005.373 where: short stacking energy: -416.989 Base-Backbone interact. energy: -1.153 local terms energy: -418.238178 where: bonds (distance) C4'-P energy: -76.140 bonds (distance) P-C4' energy: -82.620 flat angles C4'-P-C4' energy: -83.944 flat angles P-C4'-P energy: -60.698 tors. eta vs tors. theta energy: -114.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1328.469594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.469594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.469594 (E_RNA) where: Base-Base interactions energy: -931.768 where: short stacking energy: -381.355 Base-Backbone interact. energy: 3.506 local terms energy: -400.208027 where: bonds (distance) C4'-P energy: -76.943 bonds (distance) P-C4' energy: -82.545 flat angles C4'-P-C4' energy: -80.418 flat angles P-C4'-P energy: -61.182 tors. eta vs tors. theta energy: -99.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1240.771776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.771776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.771776 (E_RNA) where: Base-Base interactions energy: -850.453 where: short stacking energy: -362.822 Base-Backbone interact. energy: 1.359 local terms energy: -391.677536 where: bonds (distance) C4'-P energy: -72.712 bonds (distance) P-C4' energy: -81.297 flat angles C4'-P-C4' energy: -77.013 flat angles P-C4'-P energy: -59.459 tors. eta vs tors. theta energy: -101.197 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: 1 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1156.411777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.411777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.411777 (E_RNA) where: Base-Base interactions energy: -789.205 where: short stacking energy: -339.204 Base-Backbone interact. energy: -0.962 local terms energy: -366.245103 where: bonds (distance) C4'-P energy: -56.934 bonds (distance) P-C4' energy: -83.580 flat angles C4'-P-C4' energy: -90.304 flat angles P-C4'-P energy: -59.871 tors. eta vs tors. theta energy: -75.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1067.298483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.298483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.298483 (E_RNA) where: Base-Base interactions energy: -703.282 where: short stacking energy: -309.560 Base-Backbone interact. energy: -3.546 local terms energy: -360.469971 where: bonds (distance) C4'-P energy: -68.967 bonds (distance) P-C4' energy: -79.781 flat angles C4'-P-C4' energy: -74.757 flat angles P-C4'-P energy: -56.151 tors. eta vs tors. theta energy: -80.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -935.011888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.011888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.011888 (E_RNA) where: Base-Base interactions energy: -611.230 where: short stacking energy: -297.289 Base-Backbone interact. energy: -0.808 local terms energy: -322.973697 where: bonds (distance) C4'-P energy: -56.235 bonds (distance) P-C4' energy: -70.346 flat angles C4'-P-C4' energy: -80.294 flat angles P-C4'-P energy: -47.148 tors. eta vs tors. theta energy: -68.952 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: 9, replica: 5 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -793.641476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.641476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.641476 (E_RNA) where: Base-Base interactions energy: -493.786 where: short stacking energy: -247.662 Base-Backbone interact. energy: -2.312 local terms energy: -297.543699 where: bonds (distance) C4'-P energy: -75.180 bonds (distance) P-C4' energy: -71.893 flat angles C4'-P-C4' energy: -70.527 flat angles P-C4'-P energy: -39.700 tors. eta vs tors. theta energy: -40.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -555.908347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.908347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.908347 (E_RNA) where: Base-Base interactions energy: -303.940 where: short stacking energy: -164.085 Base-Backbone interact. energy: 1.409 local terms energy: -253.377785 where: bonds (distance) C4'-P energy: -59.163 bonds (distance) P-C4' energy: -57.983 flat angles C4'-P-C4' energy: -77.611 flat angles P-C4'-P energy: -42.728 tors. eta vs tors. theta energy: -15.892 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: 3 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1539.522671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.522671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.522671 (E_RNA) where: Base-Base interactions energy: -1063.182 where: short stacking energy: -455.007 Base-Backbone interact. energy: -1.293 local terms energy: -475.047832 where: bonds (distance) C4'-P energy: -94.898 bonds (distance) P-C4' energy: -84.453 flat angles C4'-P-C4' energy: -101.262 flat angles P-C4'-P energy: -64.563 tors. eta vs tors. theta energy: -129.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1477.341722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.341722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.341722 (E_RNA) where: Base-Base interactions energy: -1037.471 where: short stacking energy: -454.070 Base-Backbone interact. energy: -0.418 local terms energy: -439.452450 where: bonds (distance) C4'-P energy: -83.669 bonds (distance) P-C4' energy: -74.960 flat angles C4'-P-C4' energy: -97.971 flat angles P-C4'-P energy: -61.903 tors. eta vs tors. theta energy: -120.950 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: 256 Temperature: 1.000000 Total energy: -1420.389885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.389885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.389885 (E_RNA) where: Base-Base interactions energy: -999.626 where: short stacking energy: -424.180 Base-Backbone interact. energy: -1.529 local terms energy: -419.234696 where: bonds (distance) C4'-P energy: -75.218 bonds (distance) P-C4' energy: -80.342 flat angles C4'-P-C4' energy: -92.552 flat angles P-C4'-P energy: -58.962 tors. eta vs tors. theta energy: -112.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1302.112033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.112033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.112033 (E_RNA) where: Base-Base interactions energy: -896.001 where: short stacking energy: -386.394 Base-Backbone interact. energy: -0.470 local terms energy: -405.640116 where: bonds (distance) C4'-P energy: -75.750 bonds (distance) P-C4' energy: -81.051 flat angles C4'-P-C4' energy: -90.462 flat angles P-C4'-P energy: -51.683 tors. eta vs tors. theta energy: -106.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -1260.990858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.990858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.990858 (E_RNA) where: Base-Base interactions energy: -872.783 where: short stacking energy: -393.043 Base-Backbone interact. energy: -1.753 local terms energy: -386.454757 where: bonds (distance) C4'-P energy: -63.987 bonds (distance) P-C4' energy: -82.321 flat angles C4'-P-C4' energy: -88.655 flat angles P-C4'-P energy: -53.638 tors. eta vs tors. theta energy: -97.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1154.473062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.473062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.473062 (E_RNA) where: Base-Base interactions energy: -798.670 where: short stacking energy: -342.713 Base-Backbone interact. energy: 0.979 local terms energy: -356.781432 where: bonds (distance) C4'-P energy: -71.338 bonds (distance) P-C4' energy: -77.251 flat angles C4'-P-C4' energy: -75.109 flat angles P-C4'-P energy: -47.739 tors. eta vs tors. theta energy: -85.345 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: 7 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1144.494488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.494488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.494488 (E_RNA) where: Base-Base interactions energy: -765.483 where: short stacking energy: -342.014 Base-Backbone interact. energy: -0.823 local terms energy: -378.188314 where: bonds (distance) C4'-P energy: -83.096 bonds (distance) P-C4' energy: -74.805 flat angles C4'-P-C4' energy: -77.153 flat angles P-C4'-P energy: -54.587 tors. eta vs tors. theta energy: -88.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -980.857620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.857620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.857620 (E_RNA) where: Base-Base interactions energy: -654.128 where: short stacking energy: -297.746 Base-Backbone interact. energy: 0.263 local terms energy: -326.992501 where: bonds (distance) C4'-P energy: -64.828 bonds (distance) P-C4' energy: -66.790 flat angles C4'-P-C4' energy: -81.599 flat angles P-C4'-P energy: -47.666 tors. eta vs tors. theta energy: -66.110 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: 9, replica: 5 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -746.544724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.544724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.544724 (E_RNA) where: Base-Base interactions energy: -438.144 where: short stacking energy: -214.000 Base-Backbone interact. energy: -1.664 local terms energy: -306.736851 where: bonds (distance) C4'-P energy: -61.057 bonds (distance) P-C4' energy: -75.324 flat angles C4'-P-C4' energy: -80.989 flat angles P-C4'-P energy: -58.484 tors. eta vs tors. theta energy: -30.883 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: 10, replica: 4 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -603.988144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.988144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.988144 (E_RNA) where: Base-Base interactions energy: -316.858 where: short stacking energy: -159.033 Base-Backbone interact. energy: -2.082 local terms energy: -285.048128 where: bonds (distance) C4'-P energy: -75.485 bonds (distance) P-C4' energy: -68.728 flat angles C4'-P-C4' energy: -75.262 flat angles P-C4'-P energy: -42.366 tors. eta vs tors. theta energy: -23.208 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: 3 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1527.045736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.045736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.045736 (E_RNA) where: Base-Base interactions energy: -1078.182 where: short stacking energy: -453.191 Base-Backbone interact. energy: 0.655 local terms energy: -449.519392 where: bonds (distance) C4'-P energy: -73.443 bonds (distance) P-C4' energy: -84.062 flat angles C4'-P-C4' energy: -103.605 flat angles P-C4'-P energy: -64.417 tors. eta vs tors. theta energy: -123.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1496.775107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.775107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.775107 (E_RNA) where: Base-Base interactions energy: -1027.023 where: short stacking energy: -469.389 Base-Backbone interact. energy: -1.588 local terms energy: -468.164007 where: bonds (distance) C4'-P energy: -80.727 bonds (distance) P-C4' energy: -85.132 flat angles C4'-P-C4' energy: -105.552 flat angles P-C4'-P energy: -60.672 tors. eta vs tors. theta energy: -136.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1409.571668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.571668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.571668 (E_RNA) where: Base-Base interactions energy: -968.453 where: short stacking energy: -421.806 Base-Backbone interact. energy: -2.651 local terms energy: -438.467584 where: bonds (distance) C4'-P energy: -78.164 bonds (distance) P-C4' energy: -92.317 flat angles C4'-P-C4' energy: -95.572 flat angles P-C4'-P energy: -59.091 tors. eta vs tors. theta energy: -113.323 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: 10 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1322.931921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.931921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.931921 (E_RNA) where: Base-Base interactions energy: -926.797 where: short stacking energy: -388.788 Base-Backbone interact. energy: -0.667 local terms energy: -395.468774 where: bonds (distance) C4'-P energy: -70.329 bonds (distance) P-C4' energy: -72.295 flat angles C4'-P-C4' energy: -92.541 flat angles P-C4'-P energy: -59.994 tors. eta vs tors. theta energy: -100.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -1238.580648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.580648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.580648 (E_RNA) where: Base-Base interactions energy: -837.242 where: short stacking energy: -376.925 Base-Backbone interact. energy: -1.052 local terms energy: -400.286800 where: bonds (distance) C4'-P energy: -77.235 bonds (distance) P-C4' energy: -77.156 flat angles C4'-P-C4' energy: -88.643 flat angles P-C4'-P energy: -60.694 tors. eta vs tors. theta energy: -96.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1198.621495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.621495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.621495 (E_RNA) where: Base-Base interactions energy: -830.968 where: short stacking energy: -362.101 Base-Backbone interact. energy: -1.925 local terms energy: -365.728284 where: bonds (distance) C4'-P energy: -61.937 bonds (distance) P-C4' energy: -87.752 flat angles C4'-P-C4' energy: -64.285 flat angles P-C4'-P energy: -56.143 tors. eta vs tors. theta energy: -95.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1161.863165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.863165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.863165 (E_RNA) where: Base-Base interactions energy: -812.374 where: short stacking energy: -365.749 Base-Backbone interact. energy: 1.772 local terms energy: -351.261515 where: bonds (distance) C4'-P energy: -69.858 bonds (distance) P-C4' energy: -72.321 flat angles C4'-P-C4' energy: -80.736 flat angles P-C4'-P energy: -44.352 tors. eta vs tors. theta energy: -83.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -965.996605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.996605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.996605 (E_RNA) where: Base-Base interactions energy: -641.961 where: short stacking energy: -309.113 Base-Backbone interact. energy: -2.402 local terms energy: -321.634047 where: bonds (distance) C4'-P energy: -48.436 bonds (distance) P-C4' energy: -65.088 flat angles C4'-P-C4' energy: -78.769 flat angles P-C4'-P energy: -56.452 tors. eta vs tors. theta energy: -72.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -748.925720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.925720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.925720 (E_RNA) where: Base-Base interactions energy: -448.564 where: short stacking energy: -221.629 Base-Backbone interact. energy: -1.468 local terms energy: -298.893423 where: bonds (distance) C4'-P energy: -67.084 bonds (distance) P-C4' energy: -83.094 flat angles C4'-P-C4' energy: -60.603 flat angles P-C4'-P energy: -49.576 tors. eta vs tors. theta energy: -38.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -576.871395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.871395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.871395 (E_RNA) where: Base-Base interactions energy: -330.134 where: short stacking energy: -163.775 Base-Backbone interact. energy: -1.522 local terms energy: -245.215350 where: bonds (distance) C4'-P energy: -63.348 bonds (distance) P-C4' energy: -82.239 flat angles C4'-P-C4' energy: -60.031 flat angles P-C4'-P energy: -36.084 tors. eta vs tors. theta energy: -3.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1524.446442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.446442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.446442 (E_RNA) where: Base-Base interactions energy: -1062.530 where: short stacking energy: -454.270 Base-Backbone interact. energy: 2.019 local terms energy: -463.935696 where: bonds (distance) C4'-P energy: -82.106 bonds (distance) P-C4' energy: -85.140 flat angles C4'-P-C4' energy: -98.691 flat angles P-C4'-P energy: -76.435 tors. eta vs tors. theta energy: -121.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1483.765327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.765327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.765327 (E_RNA) where: Base-Base interactions energy: -1037.542 where: short stacking energy: -458.412 Base-Backbone interact. energy: -2.189 local terms energy: -444.034468 where: bonds (distance) C4'-P energy: -79.216 bonds (distance) P-C4' energy: -83.899 flat angles C4'-P-C4' energy: -89.560 flat angles P-C4'-P energy: -63.419 tors. eta vs tors. theta energy: -127.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1411.009831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.009831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.009831 (E_RNA) where: Base-Base interactions energy: -1004.990 where: short stacking energy: -424.173 Base-Backbone interact. energy: -0.781 local terms energy: -405.239276 where: bonds (distance) C4'-P energy: -72.674 bonds (distance) P-C4' energy: -76.243 flat angles C4'-P-C4' energy: -88.125 flat angles P-C4'-P energy: -51.134 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: 4, replica: 10 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1306.007252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.007252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.007252 (E_RNA) where: Base-Base interactions energy: -918.045 where: short stacking energy: -380.745 Base-Backbone interact. energy: 0.267 local terms energy: -388.229402 where: bonds (distance) C4'-P energy: -67.429 bonds (distance) P-C4' energy: -88.329 flat angles C4'-P-C4' energy: -76.702 flat angles P-C4'-P energy: -55.332 tors. eta vs tors. theta energy: -100.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1296.813838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.813838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.813838 (E_RNA) where: Base-Base interactions energy: -905.436 where: short stacking energy: -403.558 Base-Backbone interact. energy: 2.244 local terms energy: -393.622497 where: bonds (distance) C4'-P energy: -85.976 bonds (distance) P-C4' energy: -77.385 flat angles C4'-P-C4' energy: -90.217 flat angles P-C4'-P energy: -36.194 tors. eta vs tors. theta energy: -103.851 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: 6 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1156.622627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.622627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.622627 (E_RNA) where: Base-Base interactions energy: -796.320 where: short stacking energy: -335.363 Base-Backbone interact. energy: -0.832 local terms energy: -359.470333 where: bonds (distance) C4'-P energy: -60.004 bonds (distance) P-C4' energy: -77.499 flat angles C4'-P-C4' energy: -74.674 flat angles P-C4'-P energy: -51.944 tors. eta vs tors. theta energy: -95.350 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: 7, replica: 1 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1140.540978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.540978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.540978 (E_RNA) where: Base-Base interactions energy: -784.345 where: short stacking energy: -340.576 Base-Backbone interact. energy: -1.648 local terms energy: -354.547988 where: bonds (distance) C4'-P energy: -68.447 bonds (distance) P-C4' energy: -72.128 flat angles C4'-P-C4' energy: -83.163 flat angles P-C4'-P energy: -46.918 tors. eta vs tors. theta energy: -83.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -943.704119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.704119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.704119 (E_RNA) where: Base-Base interactions energy: -596.422 where: short stacking energy: -268.781 Base-Backbone interact. energy: -1.838 local terms energy: -345.444261 where: bonds (distance) C4'-P energy: -70.938 bonds (distance) P-C4' energy: -68.995 flat angles C4'-P-C4' energy: -74.551 flat angles P-C4'-P energy: -57.250 tors. eta vs tors. theta energy: -73.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -719.865096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.865096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.865096 (E_RNA) where: Base-Base interactions energy: -429.348 where: short stacking energy: -211.437 Base-Backbone interact. energy: -2.352 local terms energy: -288.165250 where: bonds (distance) C4'-P energy: -75.120 bonds (distance) P-C4' energy: -64.751 flat angles C4'-P-C4' energy: -77.428 flat angles P-C4'-P energy: -36.345 tors. eta vs tors. theta energy: -34.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -553.221851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.221851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.221851 (E_RNA) where: Base-Base interactions energy: -308.920 where: short stacking energy: -181.051 Base-Backbone interact. energy: 1.723 local terms energy: -246.025039 where: bonds (distance) C4'-P energy: -64.308 bonds (distance) P-C4' energy: -72.470 flat angles C4'-P-C4' energy: -54.344 flat angles P-C4'-P energy: -36.463 tors. eta vs tors. theta energy: -18.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1538.998430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.998430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.998430 (E_RNA) where: Base-Base interactions energy: -1082.495 where: short stacking energy: -457.569 Base-Backbone interact. energy: -0.799 local terms energy: -455.704503 where: bonds (distance) C4'-P energy: -75.968 bonds (distance) P-C4' energy: -82.434 flat angles C4'-P-C4' energy: -99.874 flat angles P-C4'-P energy: -71.486 tors. eta vs tors. theta energy: -125.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1490.165155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.165155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.165155 (E_RNA) where: Base-Base interactions energy: -1046.658 where: short stacking energy: -468.810 Base-Backbone interact. energy: -1.782 local terms energy: -441.725922 where: bonds (distance) C4'-P energy: -73.552 bonds (distance) P-C4' energy: -72.149 flat angles C4'-P-C4' energy: -91.070 flat angles P-C4'-P energy: -72.942 tors. eta vs tors. theta energy: -132.013 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: 8 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1387.199030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.199030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.199030 (E_RNA) where: Base-Base interactions energy: -958.803 where: short stacking energy: -407.387 Base-Backbone interact. energy: -1.522 local terms energy: -426.873169 where: bonds (distance) C4'-P energy: -73.012 bonds (distance) P-C4' energy: -85.309 flat angles C4'-P-C4' energy: -92.181 flat angles P-C4'-P energy: -59.981 tors. eta vs tors. theta energy: -116.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1307.377643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.377643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.377643 (E_RNA) where: Base-Base interactions energy: -882.341 where: short stacking energy: -391.862 Base-Backbone interact. energy: -2.864 local terms energy: -422.172328 where: bonds (distance) C4'-P energy: -80.141 bonds (distance) P-C4' energy: -78.563 flat angles C4'-P-C4' energy: -94.707 flat angles P-C4'-P energy: -63.038 tors. eta vs tors. theta energy: -105.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1281.989740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.989740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.989740 (E_RNA) where: Base-Base interactions energy: -887.950 where: short stacking energy: -371.572 Base-Backbone interact. energy: -2.271 local terms energy: -391.768240 where: bonds (distance) C4'-P energy: -72.993 bonds (distance) P-C4' energy: -77.344 flat angles C4'-P-C4' energy: -78.689 flat angles P-C4'-P energy: -54.638 tors. eta vs tors. theta energy: -108.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1202.289932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.289932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.289932 (E_RNA) where: Base-Base interactions energy: -858.714 where: short stacking energy: -355.979 Base-Backbone interact. energy: -1.758 local terms energy: -341.818008 where: bonds (distance) C4'-P energy: -63.626 bonds (distance) P-C4' energy: -75.115 flat angles C4'-P-C4' energy: -69.775 flat angles P-C4'-P energy: -37.829 tors. eta vs tors. theta energy: -95.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1144.592993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.592993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.592993 (E_RNA) where: Base-Base interactions energy: -793.838 where: short stacking energy: -330.887 Base-Backbone interact. energy: 0.606 local terms energy: -351.360639 where: bonds (distance) C4'-P energy: -59.224 bonds (distance) P-C4' energy: -79.785 flat angles C4'-P-C4' energy: -84.500 flat angles P-C4'-P energy: -46.489 tors. eta vs tors. theta energy: -81.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -783.971687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.971687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.971687 (E_RNA) where: Base-Base interactions energy: -473.504 where: short stacking energy: -242.635 Base-Backbone interact. energy: -1.558 local terms energy: -308.909793 where: bonds (distance) C4'-P energy: -75.617 bonds (distance) P-C4' energy: -63.392 flat angles C4'-P-C4' energy: -74.558 flat angles P-C4'-P energy: -48.844 tors. eta vs tors. theta energy: -46.499 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: 9, replica: 9 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -867.576716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.576716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.576716 (E_RNA) where: Base-Base interactions energy: -556.084 where: short stacking energy: -258.689 Base-Backbone interact. energy: 0.977 local terms energy: -312.470275 where: bonds (distance) C4'-P energy: -61.117 bonds (distance) P-C4' energy: -78.665 flat angles C4'-P-C4' energy: -68.935 flat angles P-C4'-P energy: -52.793 tors. eta vs tors. theta energy: -50.960 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: 4 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -573.332470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.332470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.332470 (E_RNA) where: Base-Base interactions energy: -303.984 where: short stacking energy: -179.517 Base-Backbone interact. energy: -2.601 local terms energy: -266.747765 where: bonds (distance) C4'-P energy: -77.854 bonds (distance) P-C4' energy: -70.318 flat angles C4'-P-C4' energy: -66.343 flat angles P-C4'-P energy: -40.049 tors. eta vs tors. theta energy: -12.184 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: 3 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1537.108017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.108017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.108017 (E_RNA) where: Base-Base interactions energy: -1088.367 where: short stacking energy: -470.551 Base-Backbone interact. energy: -0.012 local terms energy: -448.729832 where: bonds (distance) C4'-P energy: -82.277 bonds (distance) P-C4' energy: -85.105 flat angles C4'-P-C4' energy: -94.477 flat angles P-C4'-P energy: -62.346 tors. eta vs tors. theta energy: -124.526 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: 2 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1471.704219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.704219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.704219 (E_RNA) where: Base-Base interactions energy: -1004.573 where: short stacking energy: -431.330 Base-Backbone interact. energy: -1.943 local terms energy: -465.188210 where: bonds (distance) C4'-P energy: -86.626 bonds (distance) P-C4' energy: -88.260 flat angles C4'-P-C4' energy: -95.876 flat angles P-C4'-P energy: -67.176 tors. eta vs tors. theta energy: -127.250 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: 3, replica: 8 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1406.353303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.353303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.353303 (E_RNA) where: Base-Base interactions energy: -982.283 where: short stacking energy: -418.934 Base-Backbone interact. energy: -3.422 local terms energy: -420.648462 where: bonds (distance) C4'-P energy: -66.024 bonds (distance) P-C4' energy: -73.866 flat angles C4'-P-C4' energy: -98.298 flat angles P-C4'-P energy: -66.261 tors. eta vs tors. theta energy: -116.199 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: 4, replica: 7 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -1313.074566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.074566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.074566 (E_RNA) where: Base-Base interactions energy: -906.907 where: short stacking energy: -423.773 Base-Backbone interact. energy: -1.039 local terms energy: -405.128582 where: bonds (distance) C4'-P energy: -70.529 bonds (distance) P-C4' energy: -73.462 flat angles C4'-P-C4' energy: -81.483 flat angles P-C4'-P energy: -55.405 tors. eta vs tors. theta energy: -124.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -1274.864877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.864877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.864877 (E_RNA) where: Base-Base interactions energy: -891.140 where: short stacking energy: -371.714 Base-Backbone interact. energy: 0.216 local terms energy: -383.941444 where: bonds (distance) C4'-P energy: -70.886 bonds (distance) P-C4' energy: -74.391 flat angles C4'-P-C4' energy: -84.600 flat angles P-C4'-P energy: -49.924 tors. eta vs tors. theta energy: -104.140 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: 6 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1103.459799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.459799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.459799 (E_RNA) where: Base-Base interactions energy: -756.967 where: short stacking energy: -329.532 Base-Backbone interact. energy: -1.135 local terms energy: -345.357959 where: bonds (distance) C4'-P energy: -59.438 bonds (distance) P-C4' energy: -71.705 flat angles C4'-P-C4' energy: -88.473 flat angles P-C4'-P energy: -51.480 tors. eta vs tors. theta energy: -74.262 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: 1 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1147.846616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.846616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.846616 (E_RNA) where: Base-Base interactions energy: -793.385 where: short stacking energy: -332.149 Base-Backbone interact. energy: 2.867 local terms energy: -357.328651 where: bonds (distance) C4'-P energy: -73.861 bonds (distance) P-C4' energy: -61.031 flat angles C4'-P-C4' energy: -86.648 flat angles P-C4'-P energy: -47.099 tors. eta vs tors. theta energy: -88.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -746.946217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.946217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.946217 (E_RNA) where: Base-Base interactions energy: -465.131 where: short stacking energy: -222.748 Base-Backbone interact. energy: -1.560 local terms energy: -280.254830 where: bonds (distance) C4'-P energy: -69.525 bonds (distance) P-C4' energy: -53.675 flat angles C4'-P-C4' energy: -78.957 flat angles P-C4'-P energy: -48.796 tors. eta vs tors. theta energy: -29.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -902.751175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.751175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.751175 (E_RNA) where: Base-Base interactions energy: -600.865 where: short stacking energy: -283.138 Base-Backbone interact. energy: 4.259 local terms energy: -306.145213 where: bonds (distance) C4'-P energy: -70.329 bonds (distance) P-C4' energy: -55.397 flat angles C4'-P-C4' energy: -71.329 flat angles P-C4'-P energy: -40.163 tors. eta vs tors. theta energy: -68.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -542.082607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.082607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.082607 (E_RNA) where: Base-Base interactions energy: -297.057 where: short stacking energy: -149.683 Base-Backbone interact. energy: 2.880 local terms energy: -247.905832 where: bonds (distance) C4'-P energy: -60.888 bonds (distance) P-C4' energy: -78.554 flat angles C4'-P-C4' energy: -54.894 flat angles P-C4'-P energy: -40.378 tors. eta vs tors. theta energy: -13.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1518.227273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.227273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.227273 (E_RNA) where: Base-Base interactions energy: -1045.772 where: short stacking energy: -438.377 Base-Backbone interact. energy: 1.147 local terms energy: -473.602303 where: bonds (distance) C4'-P energy: -82.298 bonds (distance) P-C4' energy: -86.782 flat angles C4'-P-C4' energy: -98.282 flat angles P-C4'-P energy: -76.126 tors. eta vs tors. theta energy: -130.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1493.204724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.204724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.204724 (E_RNA) where: Base-Base interactions energy: -1022.270 where: short stacking energy: -464.759 Base-Backbone interact. energy: -0.580 local terms energy: -470.354831 where: bonds (distance) C4'-P energy: -86.743 bonds (distance) P-C4' energy: -94.298 flat angles C4'-P-C4' energy: -98.368 flat angles P-C4'-P energy: -61.505 tors. eta vs tors. theta energy: -129.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1409.382023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.382023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.382023 (E_RNA) where: Base-Base interactions energy: -1004.561 where: short stacking energy: -436.194 Base-Backbone interact. energy: -0.900 local terms energy: -403.920501 where: bonds (distance) C4'-P energy: -64.874 bonds (distance) P-C4' energy: -84.466 flat angles C4'-P-C4' energy: -90.625 flat angles P-C4'-P energy: -49.045 tors. eta vs tors. theta energy: -114.911 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: 7 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1314.288094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.288094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.288094 (E_RNA) where: Base-Base interactions energy: -891.661 where: short stacking energy: -410.955 Base-Backbone interact. energy: -1.639 local terms energy: -420.988587 where: bonds (distance) C4'-P energy: -74.271 bonds (distance) P-C4' energy: -87.894 flat angles C4'-P-C4' energy: -93.413 flat angles P-C4'-P energy: -56.374 tors. eta vs tors. theta energy: -109.037 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: 10 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -1258.402747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.402747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.402747 (E_RNA) where: Base-Base interactions energy: -859.638 where: short stacking energy: -368.080 Base-Backbone interact. energy: -1.667 local terms energy: -397.098090 where: bonds (distance) C4'-P energy: -75.159 bonds (distance) P-C4' energy: -80.035 flat angles C4'-P-C4' energy: -84.926 flat angles P-C4'-P energy: -54.752 tors. eta vs tors. theta energy: -102.226 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: 6 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1111.760821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.760821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.760821 (E_RNA) where: Base-Base interactions energy: -728.974 where: short stacking energy: -316.023 Base-Backbone interact. energy: -2.291 local terms energy: -380.496246 where: bonds (distance) C4'-P energy: -82.598 bonds (distance) P-C4' energy: -77.606 flat angles C4'-P-C4' energy: -85.997 flat angles P-C4'-P energy: -51.589 tors. eta vs tors. theta energy: -82.707 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: 1 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1101.017480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.017480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.017480 (E_RNA) where: Base-Base interactions energy: -761.864 where: short stacking energy: -318.048 Base-Backbone interact. energy: 1.617 local terms energy: -340.771014 where: bonds (distance) C4'-P energy: -64.286 bonds (distance) P-C4' energy: -72.042 flat angles C4'-P-C4' energy: -79.173 flat angles P-C4'-P energy: -57.552 tors. eta vs tors. theta energy: -67.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -920.746023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.746023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.746023 (E_RNA) where: Base-Base interactions energy: -592.263 where: short stacking energy: -274.055 Base-Backbone interact. energy: -1.153 local terms energy: -327.329977 where: bonds (distance) C4'-P energy: -71.049 bonds (distance) P-C4' energy: -80.038 flat angles C4'-P-C4' energy: -62.192 flat angles P-C4'-P energy: -58.292 tors. eta vs tors. theta energy: -55.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -726.935517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.935517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.935517 (E_RNA) where: Base-Base interactions energy: -442.995 where: short stacking energy: -203.890 Base-Backbone interact. energy: -0.549 local terms energy: -283.391442 where: bonds (distance) C4'-P energy: -60.566 bonds (distance) P-C4' energy: -73.378 flat angles C4'-P-C4' energy: -72.444 flat angles P-C4'-P energy: -40.332 tors. eta vs tors. theta energy: -36.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -541.071291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.071291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.071291 (E_RNA) where: Base-Base interactions energy: -291.591 where: short stacking energy: -167.475 Base-Backbone interact. energy: 0.962 local terms energy: -250.442689 where: bonds (distance) C4'-P energy: -75.632 bonds (distance) P-C4' energy: -69.440 flat angles C4'-P-C4' energy: -69.110 flat angles P-C4'-P energy: -28.556 tors. eta vs tors. theta energy: -7.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1528.937191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.937191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.937191 (E_RNA) where: Base-Base interactions energy: -1041.852 where: short stacking energy: -462.573 Base-Backbone interact. energy: 0.039 local terms energy: -487.124312 where: bonds (distance) C4'-P energy: -80.201 bonds (distance) P-C4' energy: -92.683 flat angles C4'-P-C4' energy: -100.562 flat angles P-C4'-P energy: -74.729 tors. eta vs tors. theta energy: -138.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1477.097183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.097183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.097183 (E_RNA) where: Base-Base interactions energy: -1052.061 where: short stacking energy: -462.950 Base-Backbone interact. energy: 1.892 local terms energy: -426.928092 where: bonds (distance) C4'-P energy: -67.925 bonds (distance) P-C4' energy: -73.810 flat angles C4'-P-C4' energy: -92.582 flat angles P-C4'-P energy: -63.000 tors. eta vs tors. theta energy: -129.611 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: 262 Temperature: 1.000000 Total energy: -1415.374991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.374991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.374991 (E_RNA) where: Base-Base interactions energy: -1006.776 where: short stacking energy: -422.369 Base-Backbone interact. energy: -0.680 local terms energy: -407.919204 where: bonds (distance) C4'-P energy: -72.807 bonds (distance) P-C4' energy: -66.395 flat angles C4'-P-C4' energy: -103.327 flat angles P-C4'-P energy: -51.766 tors. eta vs tors. theta energy: -113.624 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: 7 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1344.123029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.123029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.123029 (E_RNA) where: Base-Base interactions energy: -937.229 where: short stacking energy: -433.346 Base-Backbone interact. energy: -1.368 local terms energy: -405.526022 where: bonds (distance) C4'-P energy: -72.612 bonds (distance) P-C4' energy: -66.045 flat angles C4'-P-C4' energy: -88.214 flat angles P-C4'-P energy: -52.400 tors. eta vs tors. theta energy: -126.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -1236.774068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.774068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.774068 (E_RNA) where: Base-Base interactions energy: -864.453 where: short stacking energy: -362.611 Base-Backbone interact. energy: 1.407 local terms energy: -373.728195 where: bonds (distance) C4'-P energy: -58.866 bonds (distance) P-C4' energy: -87.509 flat angles C4'-P-C4' energy: -94.000 flat angles P-C4'-P energy: -49.933 tors. eta vs tors. theta energy: -83.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1082.442797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.442797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.442797 (E_RNA) where: Base-Base interactions energy: -723.936 where: short stacking energy: -326.103 Base-Backbone interact. energy: -2.985 local terms energy: -355.521563 where: bonds (distance) C4'-P energy: -78.736 bonds (distance) P-C4' energy: -69.971 flat angles C4'-P-C4' energy: -75.342 flat angles P-C4'-P energy: -57.709 tors. eta vs tors. theta energy: -73.763 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: 1 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1113.781188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.781188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.781188 (E_RNA) where: Base-Base interactions energy: -784.289 where: short stacking energy: -333.397 Base-Backbone interact. energy: -0.077 local terms energy: -329.415169 where: bonds (distance) C4'-P energy: -61.559 bonds (distance) P-C4' energy: -68.954 flat angles C4'-P-C4' energy: -72.768 flat angles P-C4'-P energy: -46.481 tors. eta vs tors. theta energy: -79.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -943.216026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.216026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.216026 (E_RNA) where: Base-Base interactions energy: -630.127 where: short stacking energy: -287.827 Base-Backbone interact. energy: 0.629 local terms energy: -313.717348 where: bonds (distance) C4'-P energy: -58.854 bonds (distance) P-C4' energy: -62.993 flat angles C4'-P-C4' energy: -87.747 flat angles P-C4'-P energy: -43.827 tors. eta vs tors. theta energy: -60.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -733.133064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.133064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.133064 (E_RNA) where: Base-Base interactions energy: -458.464 where: short stacking energy: -227.224 Base-Backbone interact. energy: -0.746 local terms energy: -273.922833 where: bonds (distance) C4'-P energy: -85.981 bonds (distance) P-C4' energy: -68.118 flat angles C4'-P-C4' energy: -45.783 flat angles P-C4'-P energy: -46.303 tors. eta vs tors. theta energy: -27.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -517.376658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.376658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.376658 (E_RNA) where: Base-Base interactions energy: -269.964 where: short stacking energy: -153.775 Base-Backbone interact. energy: 0.688 local terms energy: -248.101070 where: bonds (distance) C4'-P energy: -77.269 bonds (distance) P-C4' energy: -80.130 flat angles C4'-P-C4' energy: -60.374 flat angles P-C4'-P energy: -21.259 tors. eta vs tors. theta energy: -9.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1534.311406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.311406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.311406 (E_RNA) where: Base-Base interactions energy: -1055.756 where: short stacking energy: -468.482 Base-Backbone interact. energy: -0.952 local terms energy: -477.603001 where: bonds (distance) C4'-P energy: -85.144 bonds (distance) P-C4' energy: -93.065 flat angles C4'-P-C4' energy: -98.170 flat angles P-C4'-P energy: -71.476 tors. eta vs tors. theta energy: -129.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1497.440323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.440323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.440323 (E_RNA) where: Base-Base interactions energy: -1044.224 where: short stacking energy: -452.252 Base-Backbone interact. energy: 1.892 local terms energy: -455.109115 where: bonds (distance) C4'-P energy: -84.575 bonds (distance) P-C4' energy: -82.634 flat angles C4'-P-C4' energy: -89.101 flat angles P-C4'-P energy: -71.513 tors. eta vs tors. theta energy: -127.286 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: 263 Temperature: 1.000000 Total energy: -1408.184531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.184531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.184531 (E_RNA) where: Base-Base interactions energy: -975.707 where: short stacking energy: -418.678 Base-Backbone interact. energy: -1.500 local terms energy: -430.977942 where: bonds (distance) C4'-P energy: -84.227 bonds (distance) P-C4' energy: -74.009 flat angles C4'-P-C4' energy: -94.891 flat angles P-C4'-P energy: -64.868 tors. eta vs tors. theta energy: -112.983 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: 7 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1370.442798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.442798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.442798 (E_RNA) where: Base-Base interactions energy: -939.577 where: short stacking energy: -414.382 Base-Backbone interact. energy: 0.679 local terms energy: -431.544490 where: bonds (distance) C4'-P energy: -79.555 bonds (distance) P-C4' energy: -76.816 flat angles C4'-P-C4' energy: -100.587 flat angles P-C4'-P energy: -52.508 tors. eta vs tors. theta energy: -122.079 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: 10 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -1252.094353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.094353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.094353 (E_RNA) where: Base-Base interactions energy: -876.810 where: short stacking energy: -355.656 Base-Backbone interact. energy: -2.054 local terms energy: -373.229885 where: bonds (distance) C4'-P energy: -71.279 bonds (distance) P-C4' energy: -75.565 flat angles C4'-P-C4' energy: -84.194 flat angles P-C4'-P energy: -58.409 tors. eta vs tors. theta energy: -83.783 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: 1 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1161.235864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.235864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.235864 (E_RNA) where: Base-Base interactions energy: -824.620 where: short stacking energy: -324.772 Base-Backbone interact. energy: -2.277 local terms energy: -334.339029 where: bonds (distance) C4'-P energy: -63.137 bonds (distance) P-C4' energy: -67.911 flat angles C4'-P-C4' energy: -78.897 flat angles P-C4'-P energy: -54.722 tors. eta vs tors. theta energy: -69.672 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: 6 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1040.258698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.258698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.258698 (E_RNA) where: Base-Base interactions energy: -711.500 where: short stacking energy: -304.216 Base-Backbone interact. energy: 0.531 local terms energy: -329.289696 where: bonds (distance) C4'-P energy: -71.529 bonds (distance) P-C4' energy: -84.289 flat angles C4'-P-C4' energy: -83.066 flat angles P-C4'-P energy: -33.471 tors. eta vs tors. theta energy: -56.936 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: 9 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -912.359741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.359741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.359741 (E_RNA) where: Base-Base interactions energy: -606.598 where: short stacking energy: -267.406 Base-Backbone interact. energy: 0.218 local terms energy: -305.979385 where: bonds (distance) C4'-P energy: -50.149 bonds (distance) P-C4' energy: -76.855 flat angles C4'-P-C4' energy: -78.354 flat angles P-C4'-P energy: -50.430 tors. eta vs tors. theta energy: -50.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -736.090501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.090501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.090501 (E_RNA) where: Base-Base interactions energy: -439.004 where: short stacking energy: -221.067 Base-Backbone interact. energy: -0.508 local terms energy: -296.578438 where: bonds (distance) C4'-P energy: -78.615 bonds (distance) P-C4' energy: -69.007 flat angles C4'-P-C4' energy: -63.685 flat angles P-C4'-P energy: -53.789 tors. eta vs tors. theta energy: -31.483 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: 4 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -495.010709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.010709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.010709 (E_RNA) where: Base-Base interactions energy: -266.017 where: short stacking energy: -131.748 Base-Backbone interact. energy: -1.514 local terms energy: -227.479985 where: bonds (distance) C4'-P energy: -68.803 bonds (distance) P-C4' energy: -67.567 flat angles C4'-P-C4' energy: -62.586 flat angles P-C4'-P energy: -32.621 tors. eta vs tors. theta energy: 4.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1539.528263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.528263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.528263 (E_RNA) where: Base-Base interactions energy: -1068.260 where: short stacking energy: -460.451 Base-Backbone interact. energy: -2.217 local terms energy: -469.051153 where: bonds (distance) C4'-P energy: -87.113 bonds (distance) P-C4' energy: -92.657 flat angles C4'-P-C4' energy: -94.043 flat angles P-C4'-P energy: -66.885 tors. eta vs tors. theta energy: -128.353 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: 2 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1493.939455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.939455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.939455 (E_RNA) where: Base-Base interactions energy: -1013.727 where: short stacking energy: -455.792 Base-Backbone interact. energy: -2.935 local terms energy: -477.276971 where: bonds (distance) C4'-P energy: -89.866 bonds (distance) P-C4' energy: -88.828 flat angles C4'-P-C4' energy: -92.119 flat angles P-C4'-P energy: -68.984 tors. eta vs tors. theta energy: -137.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1394.585106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.585106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.585106 (E_RNA) where: Base-Base interactions energy: -975.474 where: short stacking energy: -422.425 Base-Backbone interact. energy: -1.817 local terms energy: -417.293704 where: bonds (distance) C4'-P energy: -74.369 bonds (distance) P-C4' energy: -80.929 flat angles C4'-P-C4' energy: -90.810 flat angles P-C4'-P energy: -57.588 tors. eta vs tors. theta energy: -113.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1354.040711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.040711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.040711 (E_RNA) where: Base-Base interactions energy: -930.011 where: short stacking energy: -416.043 Base-Backbone interact. energy: -1.057 local terms energy: -422.972914 where: bonds (distance) C4'-P energy: -81.285 bonds (distance) P-C4' energy: -66.006 flat angles C4'-P-C4' energy: -93.015 flat angles P-C4'-P energy: -63.735 tors. eta vs tors. theta energy: -118.931 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: 10 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1293.779019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.779019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.779019 (E_RNA) where: Base-Base interactions energy: -909.638 where: short stacking energy: -387.836 Base-Backbone interact. energy: -2.979 local terms energy: -381.161950 where: bonds (distance) C4'-P energy: -63.597 bonds (distance) P-C4' energy: -83.255 flat angles C4'-P-C4' energy: -83.783 flat angles P-C4'-P energy: -47.136 tors. eta vs tors. theta energy: -103.391 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: 1 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -1167.487963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.487963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.487963 (E_RNA) where: Base-Base interactions energy: -794.849 where: short stacking energy: -344.464 Base-Backbone interact. energy: -1.484 local terms energy: -371.154231 where: bonds (distance) C4'-P energy: -73.687 bonds (distance) P-C4' energy: -83.458 flat angles C4'-P-C4' energy: -84.159 flat angles P-C4'-P energy: -41.013 tors. eta vs tors. theta energy: -88.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1062.971371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.971371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.971371 (E_RNA) where: Base-Base interactions energy: -723.082 where: short stacking energy: -311.026 Base-Backbone interact. energy: -1.043 local terms energy: -338.846177 where: bonds (distance) C4'-P energy: -66.147 bonds (distance) P-C4' energy: -58.164 flat angles C4'-P-C4' energy: -77.117 flat angles P-C4'-P energy: -55.313 tors. eta vs tors. theta energy: -82.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -920.495801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.495801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.495801 (E_RNA) where: Base-Base interactions energy: -615.881 where: short stacking energy: -291.811 Base-Backbone interact. energy: -0.167 local terms energy: -304.448135 where: bonds (distance) C4'-P energy: -67.243 bonds (distance) P-C4' energy: -58.172 flat angles C4'-P-C4' energy: -68.209 flat angles P-C4'-P energy: -45.666 tors. eta vs tors. theta energy: -65.158 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: 5 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -731.843887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.843887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.843887 (E_RNA) where: Base-Base interactions energy: -455.463 where: short stacking energy: -225.254 Base-Backbone interact. energy: -0.662 local terms energy: -275.718629 where: bonds (distance) C4'-P energy: -64.788 bonds (distance) P-C4' energy: -72.826 flat angles C4'-P-C4' energy: -68.385 flat angles P-C4'-P energy: -30.627 tors. eta vs tors. theta energy: -39.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -535.620478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.620478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.620478 (E_RNA) where: Base-Base interactions energy: -290.024 where: short stacking energy: -159.780 Base-Backbone interact. energy: 0.802 local terms energy: -246.398422 where: bonds (distance) C4'-P energy: -63.046 bonds (distance) P-C4' energy: -71.475 flat angles C4'-P-C4' energy: -64.942 flat angles P-C4'-P energy: -35.751 tors. eta vs tors. theta energy: -11.184 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: 3 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1529.453266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.453266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.453266 (E_RNA) where: Base-Base interactions energy: -1073.382 where: short stacking energy: -453.833 Base-Backbone interact. energy: -0.110 local terms energy: -455.962056 where: bonds (distance) C4'-P energy: -68.655 bonds (distance) P-C4' energy: -88.589 flat angles C4'-P-C4' energy: -95.321 flat angles P-C4'-P energy: -72.078 tors. eta vs tors. theta energy: -131.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1470.685172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.685172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.685172 (E_RNA) where: Base-Base interactions energy: -1019.261 where: short stacking energy: -445.783 Base-Backbone interact. energy: -0.885 local terms energy: -450.539175 where: bonds (distance) C4'-P energy: -87.753 bonds (distance) P-C4' energy: -68.276 flat angles C4'-P-C4' energy: -99.162 flat angles P-C4'-P energy: -60.319 tors. eta vs tors. theta energy: -135.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1396.715630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.715630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.715630 (E_RNA) where: Base-Base interactions energy: -984.393 where: short stacking energy: -413.920 Base-Backbone interact. energy: -1.636 local terms energy: -410.686710 where: bonds (distance) C4'-P energy: -72.992 bonds (distance) P-C4' energy: -74.733 flat angles C4'-P-C4' energy: -90.132 flat angles P-C4'-P energy: -68.706 tors. eta vs tors. theta energy: -104.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1360.363414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.363414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.363414 (E_RNA) where: Base-Base interactions energy: -945.011 where: short stacking energy: -407.539 Base-Backbone interact. energy: -0.729 local terms energy: -414.623842 where: bonds (distance) C4'-P energy: -69.093 bonds (distance) P-C4' energy: -66.075 flat angles C4'-P-C4' energy: -92.695 flat angles P-C4'-P energy: -61.265 tors. eta vs tors. theta energy: -125.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -1253.537688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.537688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.537688 (E_RNA) where: Base-Base interactions energy: -863.387 where: short stacking energy: -381.966 Base-Backbone interact. energy: -1.841 local terms energy: -388.309344 where: bonds (distance) C4'-P energy: -71.595 bonds (distance) P-C4' energy: -76.043 flat angles C4'-P-C4' energy: -89.273 flat angles P-C4'-P energy: -53.518 tors. eta vs tors. theta energy: -97.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1210.237158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.237158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.237158 (E_RNA) where: Base-Base interactions energy: -840.356 where: short stacking energy: -351.206 Base-Backbone interact. energy: -0.517 local terms energy: -369.364221 where: bonds (distance) C4'-P energy: -67.731 bonds (distance) P-C4' energy: -82.519 flat angles C4'-P-C4' energy: -83.492 flat angles P-C4'-P energy: -49.084 tors. eta vs tors. theta energy: -86.538 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: 6 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1067.523824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.523824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.523824 (E_RNA) where: Base-Base interactions energy: -730.397 where: short stacking energy: -304.457 Base-Backbone interact. energy: 0.313 local terms energy: -337.439687 where: bonds (distance) C4'-P energy: -65.078 bonds (distance) P-C4' energy: -73.163 flat angles C4'-P-C4' energy: -88.837 flat angles P-C4'-P energy: -44.441 tors. eta vs tors. theta energy: -65.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -905.061338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.061338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.061338 (E_RNA) where: Base-Base interactions energy: -555.424 where: short stacking energy: -275.342 Base-Backbone interact. energy: -1.325 local terms energy: -348.312106 where: bonds (distance) C4'-P energy: -77.898 bonds (distance) P-C4' energy: -69.564 flat angles C4'-P-C4' energy: -75.619 flat angles P-C4'-P energy: -57.337 tors. eta vs tors. theta energy: -67.894 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: 5 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -746.725187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.725187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.725187 (E_RNA) where: Base-Base interactions energy: -449.484 where: short stacking energy: -216.166 Base-Backbone interact. energy: -2.631 local terms energy: -294.609688 where: bonds (distance) C4'-P energy: -83.664 bonds (distance) P-C4' energy: -55.726 flat angles C4'-P-C4' energy: -79.603 flat angles P-C4'-P energy: -39.031 tors. eta vs tors. theta energy: -36.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -520.079039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.079039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.079039 (E_RNA) where: Base-Base interactions energy: -285.480 where: short stacking energy: -160.954 Base-Backbone interact. energy: 3.829 local terms energy: -238.428656 where: bonds (distance) C4'-P energy: -56.619 bonds (distance) P-C4' energy: -57.591 flat angles C4'-P-C4' energy: -75.312 flat angles P-C4'-P energy: -30.370 tors. eta vs tors. theta energy: -18.537 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: 1, replica: 3 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1531.891098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.891098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.891098 (E_RNA) where: Base-Base interactions energy: -1070.453 where: short stacking energy: -448.068 Base-Backbone interact. energy: -2.471 local terms energy: -458.966648 where: bonds (distance) C4'-P energy: -82.750 bonds (distance) P-C4' energy: -91.158 flat angles C4'-P-C4' energy: -91.285 flat angles P-C4'-P energy: -67.117 tors. eta vs tors. theta energy: -126.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1481.629163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.629163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.629163 (E_RNA) where: Base-Base interactions energy: -1043.103 where: short stacking energy: -463.466 Base-Backbone interact. energy: -1.798 local terms energy: -436.728298 where: bonds (distance) C4'-P energy: -73.295 bonds (distance) P-C4' energy: -78.337 flat angles C4'-P-C4' energy: -94.451 flat angles P-C4'-P energy: -57.978 tors. eta vs tors. theta energy: -132.668 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: 3, replica: 8 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1422.006383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.006383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.006383 (E_RNA) where: Base-Base interactions energy: -994.567 where: short stacking energy: -412.280 Base-Backbone interact. energy: -2.951 local terms energy: -424.488937 where: bonds (distance) C4'-P energy: -66.096 bonds (distance) P-C4' energy: -79.448 flat angles C4'-P-C4' energy: -100.073 flat angles P-C4'-P energy: -63.679 tors. eta vs tors. theta energy: -115.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1378.132393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.132393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.132393 (E_RNA) where: Base-Base interactions energy: -947.362 where: short stacking energy: -425.648 Base-Backbone interact. energy: 0.472 local terms energy: -431.242148 where: bonds (distance) C4'-P energy: -72.766 bonds (distance) P-C4' energy: -80.006 flat angles C4'-P-C4' energy: -88.519 flat angles P-C4'-P energy: -60.840 tors. eta vs tors. theta energy: -129.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -1262.333182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.333182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.333182 (E_RNA) where: Base-Base interactions energy: -879.137 where: short stacking energy: -354.507 Base-Backbone interact. energy: -0.060 local terms energy: -383.135792 where: bonds (distance) C4'-P energy: -67.767 bonds (distance) P-C4' energy: -84.309 flat angles C4'-P-C4' energy: -86.539 flat angles P-C4'-P energy: -56.231 tors. eta vs tors. theta energy: -88.290 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: 10 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1212.188459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.188459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.188459 (E_RNA) where: Base-Base interactions energy: -827.280 where: short stacking energy: -374.150 Base-Backbone interact. energy: -1.185 local terms energy: -383.722800 where: bonds (distance) C4'-P energy: -64.880 bonds (distance) P-C4' energy: -75.388 flat angles C4'-P-C4' energy: -87.203 flat angles P-C4'-P energy: -60.925 tors. eta vs tors. theta energy: -95.328 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: 6 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1063.520237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.520237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.520237 (E_RNA) where: Base-Base interactions energy: -728.165 where: short stacking energy: -319.581 Base-Backbone interact. energy: -1.806 local terms energy: -333.549696 where: bonds (distance) C4'-P energy: -63.196 bonds (distance) P-C4' energy: -63.542 flat angles C4'-P-C4' energy: -84.115 flat angles P-C4'-P energy: -54.225 tors. eta vs tors. theta energy: -68.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -917.612826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.612826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.612826 (E_RNA) where: Base-Base interactions energy: -614.517 where: short stacking energy: -291.924 Base-Backbone interact. energy: 5.192 local terms energy: -308.288360 where: bonds (distance) C4'-P energy: -63.967 bonds (distance) P-C4' energy: -60.066 flat angles C4'-P-C4' energy: -67.459 flat angles P-C4'-P energy: -42.645 tors. eta vs tors. theta energy: -74.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -724.174863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.174863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.174863 (E_RNA) where: Base-Base interactions energy: -435.940 where: short stacking energy: -213.042 Base-Backbone interact. energy: -0.779 local terms energy: -287.455213 where: bonds (distance) C4'-P energy: -71.576 bonds (distance) P-C4' energy: -74.122 flat angles C4'-P-C4' energy: -66.338 flat angles P-C4'-P energy: -47.456 tors. eta vs tors. theta energy: -27.963 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: 4 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -459.457941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.457941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.457941 (E_RNA) where: Base-Base interactions energy: -232.614 where: short stacking energy: -137.580 Base-Backbone interact. energy: -1.127 local terms energy: -225.716717 where: bonds (distance) C4'-P energy: -57.005 bonds (distance) P-C4' energy: -78.119 flat angles C4'-P-C4' energy: -51.122 flat angles P-C4'-P energy: -29.953 tors. eta vs tors. theta energy: -9.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1532.863277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.863277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.863277 (E_RNA) where: Base-Base interactions energy: -1072.695 where: short stacking energy: -476.316 Base-Backbone interact. energy: -2.989 local terms energy: -457.179742 where: bonds (distance) C4'-P energy: -70.507 bonds (distance) P-C4' energy: -86.552 flat angles C4'-P-C4' energy: -92.781 flat angles P-C4'-P energy: -76.905 tors. eta vs tors. theta energy: -130.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1490.640146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.640146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.640146 (E_RNA) where: Base-Base interactions energy: -1028.672 where: short stacking energy: -461.061 Base-Backbone interact. energy: -3.122 local terms energy: -458.846265 where: bonds (distance) C4'-P energy: -79.346 bonds (distance) P-C4' energy: -99.788 flat angles C4'-P-C4' energy: -92.321 flat angles P-C4'-P energy: -58.968 tors. eta vs tors. theta energy: -128.422 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: 267 Temperature: 1.000000 Total energy: -1409.552584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.552584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.552584 (E_RNA) where: Base-Base interactions energy: -979.574 where: short stacking energy: -433.270 Base-Backbone interact. energy: -0.608 local terms energy: -429.370469 where: bonds (distance) C4'-P energy: -84.620 bonds (distance) P-C4' energy: -79.067 flat angles C4'-P-C4' energy: -90.632 flat angles P-C4'-P energy: -62.843 tors. eta vs tors. theta energy: -112.208 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: 7 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1357.228901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.228901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.228901 (E_RNA) where: Base-Base interactions energy: -918.959 where: short stacking energy: -401.935 Base-Backbone interact. energy: -0.225 local terms energy: -438.044489 where: bonds (distance) C4'-P energy: -82.171 bonds (distance) P-C4' energy: -84.135 flat angles C4'-P-C4' energy: -98.697 flat angles P-C4'-P energy: -54.183 tors. eta vs tors. theta energy: -118.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1260.810376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.810376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.810376 (E_RNA) where: Base-Base interactions energy: -855.607 where: short stacking energy: -369.822 Base-Backbone interact. energy: -0.608 local terms energy: -404.595855 where: bonds (distance) C4'-P energy: -75.400 bonds (distance) P-C4' energy: -87.667 flat angles C4'-P-C4' energy: -90.333 flat angles P-C4'-P energy: -54.494 tors. eta vs tors. theta energy: -96.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1245.565356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.565356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.565356 (E_RNA) where: Base-Base interactions energy: -861.585 where: short stacking energy: -384.981 Base-Backbone interact. energy: -0.518 local terms energy: -383.463047 where: bonds (distance) C4'-P energy: -68.383 bonds (distance) P-C4' energy: -74.677 flat angles C4'-P-C4' energy: -69.167 flat angles P-C4'-P energy: -56.457 tors. eta vs tors. theta energy: -114.779 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: 6 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1093.787708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.787708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.787708 (E_RNA) where: Base-Base interactions energy: -771.586 where: short stacking energy: -312.310 Base-Backbone interact. energy: 1.395 local terms energy: -323.596332 where: bonds (distance) C4'-P energy: -48.190 bonds (distance) P-C4' energy: -82.595 flat angles C4'-P-C4' energy: -77.468 flat angles P-C4'-P energy: -43.504 tors. eta vs tors. theta energy: -71.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -901.990845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.990845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.990845 (E_RNA) where: Base-Base interactions energy: -584.638 where: short stacking energy: -272.902 Base-Backbone interact. energy: -0.258 local terms energy: -317.095507 where: bonds (distance) C4'-P energy: -68.714 bonds (distance) P-C4' energy: -71.182 flat angles C4'-P-C4' energy: -74.360 flat angles P-C4'-P energy: -36.515 tors. eta vs tors. theta energy: -66.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -703.790516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.790516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.790516 (E_RNA) where: Base-Base interactions energy: -427.948 where: short stacking energy: -196.491 Base-Backbone interact. energy: -2.802 local terms energy: -273.040743 where: bonds (distance) C4'-P energy: -69.693 bonds (distance) P-C4' energy: -81.898 flat angles C4'-P-C4' energy: -63.821 flat angles P-C4'-P energy: -34.057 tors. eta vs tors. theta energy: -23.572 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: 4 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -465.292679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.292679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.292679 (E_RNA) where: Base-Base interactions energy: -215.685 where: short stacking energy: -143.958 Base-Backbone interact. energy: -2.489 local terms energy: -247.118180 where: bonds (distance) C4'-P energy: -71.197 bonds (distance) P-C4' energy: -69.729 flat angles C4'-P-C4' energy: -65.256 flat angles P-C4'-P energy: -31.953 tors. eta vs tors. theta energy: -8.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1505.611536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.611536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.611536 (E_RNA) where: Base-Base interactions energy: -1055.009 where: short stacking energy: -456.386 Base-Backbone interact. energy: -1.212 local terms energy: -449.390105 where: bonds (distance) C4'-P energy: -88.816 bonds (distance) P-C4' energy: -77.697 flat angles C4'-P-C4' energy: -95.207 flat angles P-C4'-P energy: -64.568 tors. eta vs tors. theta energy: -123.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1508.726279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.726279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.726279 (E_RNA) where: Base-Base interactions energy: -1057.350 where: short stacking energy: -458.935 Base-Backbone interact. energy: -0.714 local terms energy: -450.662009 where: bonds (distance) C4'-P energy: -73.694 bonds (distance) P-C4' energy: -88.103 flat angles C4'-P-C4' energy: -94.515 flat angles P-C4'-P energy: -65.587 tors. eta vs tors. theta energy: -128.763 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: 268 Temperature: 1.000000 Total energy: -1405.278020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.278020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.278020 (E_RNA) where: Base-Base interactions energy: -993.633 where: short stacking energy: -416.387 Base-Backbone interact. energy: -0.850 local terms energy: -410.794589 where: bonds (distance) C4'-P energy: -70.148 bonds (distance) P-C4' energy: -77.911 flat angles C4'-P-C4' energy: -88.754 flat angles P-C4'-P energy: -59.342 tors. eta vs tors. theta energy: -114.640 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: 7 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1372.321337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.321337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.321337 (E_RNA) where: Base-Base interactions energy: -943.859 where: short stacking energy: -418.198 Base-Backbone interact. energy: -2.341 local terms energy: -426.121524 where: bonds (distance) C4'-P energy: -69.624 bonds (distance) P-C4' energy: -78.313 flat angles C4'-P-C4' energy: -97.033 flat angles P-C4'-P energy: -62.996 tors. eta vs tors. theta energy: -118.155 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: 5, replica: 1 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1256.708135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.708135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.708135 (E_RNA) where: Base-Base interactions energy: -847.124 where: short stacking energy: -374.881 Base-Backbone interact. energy: -2.251 local terms energy: -407.332791 where: bonds (distance) C4'-P energy: -77.177 bonds (distance) P-C4' energy: -84.702 flat angles C4'-P-C4' energy: -86.890 flat angles P-C4'-P energy: -55.886 tors. eta vs tors. theta energy: -102.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1204.705744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.705744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.705744 (E_RNA) where: Base-Base interactions energy: -817.929 where: short stacking energy: -362.525 Base-Backbone interact. energy: 0.124 local terms energy: -386.900469 where: bonds (distance) C4'-P energy: -76.598 bonds (distance) P-C4' energy: -80.805 flat angles C4'-P-C4' energy: -82.008 flat angles P-C4'-P energy: -43.843 tors. eta vs tors. theta energy: -103.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1096.435465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.435465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.435465 (E_RNA) where: Base-Base interactions energy: -740.788 where: short stacking energy: -325.263 Base-Backbone interact. energy: -0.894 local terms energy: -354.752672 where: bonds (distance) C4'-P energy: -76.095 bonds (distance) P-C4' energy: -69.594 flat angles C4'-P-C4' energy: -70.062 flat angles P-C4'-P energy: -65.975 tors. eta vs tors. theta energy: -73.026 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: 268 Temperature: 1.250000 Total energy: -926.358155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.358155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.358155 (E_RNA) where: Base-Base interactions energy: -603.051 where: short stacking energy: -293.289 Base-Backbone interact. energy: 1.717 local terms energy: -325.024177 where: bonds (distance) C4'-P energy: -61.891 bonds (distance) P-C4' energy: -70.616 flat angles C4'-P-C4' energy: -73.708 flat angles P-C4'-P energy: -57.577 tors. eta vs tors. theta energy: -61.232 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: 5 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -754.171062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.171062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.171062 (E_RNA) where: Base-Base interactions energy: -469.597 where: short stacking energy: -221.453 Base-Backbone interact. energy: 1.277 local terms energy: -285.851095 where: bonds (distance) C4'-P energy: -69.039 bonds (distance) P-C4' energy: -64.884 flat angles C4'-P-C4' energy: -66.933 flat angles P-C4'-P energy: -43.731 tors. eta vs tors. theta energy: -41.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -450.386436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.386436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.386436 (E_RNA) where: Base-Base interactions energy: -202.778 where: short stacking energy: -128.278 Base-Backbone interact. energy: -1.212 local terms energy: -246.395774 where: bonds (distance) C4'-P energy: -69.833 bonds (distance) P-C4' energy: -82.588 flat angles C4'-P-C4' energy: -63.450 flat angles P-C4'-P energy: -42.938 tors. eta vs tors. theta energy: 12.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1502.313711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.313711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.313711 (E_RNA) where: Base-Base interactions energy: -1047.917 where: short stacking energy: -452.845 Base-Backbone interact. energy: -1.593 local terms energy: -452.803852 where: bonds (distance) C4'-P energy: -79.206 bonds (distance) P-C4' energy: -79.242 flat angles C4'-P-C4' energy: -98.074 flat angles P-C4'-P energy: -64.787 tors. eta vs tors. theta energy: -131.495 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: 3 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1502.881015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.881015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.881015 (E_RNA) where: Base-Base interactions energy: -1045.518 where: short stacking energy: -431.014 Base-Backbone interact. energy: -1.612 local terms energy: -455.750706 where: bonds (distance) C4'-P energy: -74.713 bonds (distance) P-C4' energy: -94.816 flat angles C4'-P-C4' energy: -93.430 flat angles P-C4'-P energy: -67.718 tors. eta vs tors. theta energy: -125.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1412.845866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.845866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.845866 (E_RNA) where: Base-Base interactions energy: -997.336 where: short stacking energy: -428.920 Base-Backbone interact. energy: -0.390 local terms energy: -415.119417 where: bonds (distance) C4'-P energy: -79.953 bonds (distance) P-C4' energy: -74.048 flat angles C4'-P-C4' energy: -94.259 flat angles P-C4'-P energy: -54.436 tors. eta vs tors. theta energy: -112.423 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: 7 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1365.535780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.535780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.535780 (E_RNA) where: Base-Base interactions energy: -929.411 where: short stacking energy: -418.003 Base-Backbone interact. energy: -3.505 local terms energy: -432.619918 where: bonds (distance) C4'-P energy: -82.045 bonds (distance) P-C4' energy: -74.291 flat angles C4'-P-C4' energy: -86.383 flat angles P-C4'-P energy: -67.273 tors. eta vs tors. theta energy: -122.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1252.273463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.273463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.273463 (E_RNA) where: Base-Base interactions energy: -885.867 where: short stacking energy: -364.450 Base-Backbone interact. energy: -2.713 local terms energy: -363.693363 where: bonds (distance) C4'-P energy: -56.449 bonds (distance) P-C4' energy: -79.849 flat angles C4'-P-C4' energy: -82.418 flat angles P-C4'-P energy: -55.561 tors. eta vs tors. theta energy: -89.417 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: 10 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1198.796512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.796512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.796512 (E_RNA) where: Base-Base interactions energy: -818.562 where: short stacking energy: -375.170 Base-Backbone interact. energy: 1.223 local terms energy: -381.457404 where: bonds (distance) C4'-P energy: -76.712 bonds (distance) P-C4' energy: -73.099 flat angles C4'-P-C4' energy: -84.385 flat angles P-C4'-P energy: -49.600 tors. eta vs tors. theta energy: -97.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1081.060210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.060210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.060210 (E_RNA) where: Base-Base interactions energy: -727.044 where: short stacking energy: -323.444 Base-Backbone interact. energy: -0.973 local terms energy: -353.043546 where: bonds (distance) C4'-P energy: -71.257 bonds (distance) P-C4' energy: -80.027 flat angles C4'-P-C4' energy: -81.749 flat angles P-C4'-P energy: -39.375 tors. eta vs tors. theta energy: -80.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -972.097369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.097369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.097369 (E_RNA) where: Base-Base interactions energy: -634.780 where: short stacking energy: -276.228 Base-Backbone interact. energy: -2.674 local terms energy: -334.643530 where: bonds (distance) C4'-P energy: -63.087 bonds (distance) P-C4' energy: -79.484 flat angles C4'-P-C4' energy: -83.145 flat angles P-C4'-P energy: -39.031 tors. eta vs tors. theta energy: -69.896 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: 9, replica: 5 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -725.763497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.763497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.763497 (E_RNA) where: Base-Base interactions energy: -462.921 where: short stacking energy: -219.498 Base-Backbone interact. energy: 0.868 local terms energy: -263.710696 where: bonds (distance) C4'-P energy: -65.755 bonds (distance) P-C4' energy: -72.364 flat angles C4'-P-C4' energy: -65.384 flat angles P-C4'-P energy: -37.023 tors. eta vs tors. theta energy: -23.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -399.449384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.449384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.449384 (E_RNA) where: Base-Base interactions energy: -198.478 where: short stacking energy: -139.071 Base-Backbone interact. energy: -1.375 local terms energy: -199.596718 where: bonds (distance) C4'-P energy: -65.251 bonds (distance) P-C4' energy: -60.610 flat angles C4'-P-C4' energy: -51.605 flat angles P-C4'-P energy: -22.171 tors. eta vs tors. theta energy: 0.040 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: 1, replica: 3 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1529.162248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.162248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.162248 (E_RNA) where: Base-Base interactions energy: -1062.633 where: short stacking energy: -474.578 Base-Backbone interact. energy: -2.627 local terms energy: -463.902239 where: bonds (distance) C4'-P energy: -83.222 bonds (distance) P-C4' energy: -92.801 flat angles C4'-P-C4' energy: -98.543 flat angles P-C4'-P energy: -57.479 tors. eta vs tors. theta energy: -131.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1509.793372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.793372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.793372 (E_RNA) where: Base-Base interactions energy: -1030.427 where: short stacking energy: -460.433 Base-Backbone interact. energy: -3.082 local terms energy: -476.284371 where: bonds (distance) C4'-P energy: -89.372 bonds (distance) P-C4' energy: -86.964 flat angles C4'-P-C4' energy: -99.509 flat angles P-C4'-P energy: -67.206 tors. eta vs tors. theta energy: -133.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1447.400147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.400147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.400147 (E_RNA) where: Base-Base interactions energy: -1006.580 where: short stacking energy: -429.822 Base-Backbone interact. energy: -1.311 local terms energy: -439.508977 where: bonds (distance) C4'-P energy: -83.762 bonds (distance) P-C4' energy: -71.546 flat angles C4'-P-C4' energy: -99.415 flat angles P-C4'-P energy: -66.142 tors. eta vs tors. theta energy: -118.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1363.289724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.289724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.289724 (E_RNA) where: Base-Base interactions energy: -946.003 where: short stacking energy: -417.940 Base-Backbone interact. energy: -2.386 local terms energy: -414.900495 where: bonds (distance) C4'-P energy: -68.526 bonds (distance) P-C4' energy: -75.863 flat angles C4'-P-C4' energy: -97.663 flat angles P-C4'-P energy: -54.824 tors. eta vs tors. theta energy: -118.024 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: 10 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -1220.711462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.711462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.711462 (E_RNA) where: Base-Base interactions energy: -813.505 where: short stacking energy: -353.977 Base-Backbone interact. energy: -0.926 local terms energy: -406.279977 where: bonds (distance) C4'-P energy: -75.792 bonds (distance) P-C4' energy: -82.774 flat angles C4'-P-C4' energy: -94.734 flat angles P-C4'-P energy: -51.190 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: 6, replica: 1 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1160.761551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.761551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.761551 (E_RNA) where: Base-Base interactions energy: -815.474 where: short stacking energy: -347.809 Base-Backbone interact. energy: -0.341 local terms energy: -344.946026 where: bonds (distance) C4'-P energy: -67.724 bonds (distance) P-C4' energy: -62.069 flat angles C4'-P-C4' energy: -78.704 flat angles P-C4'-P energy: -50.124 tors. eta vs tors. theta energy: -86.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1054.220697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.220697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.220697 (E_RNA) where: Base-Base interactions energy: -709.211 where: short stacking energy: -301.604 Base-Backbone interact. energy: -0.710 local terms energy: -344.299952 where: bonds (distance) C4'-P energy: -68.578 bonds (distance) P-C4' energy: -79.634 flat angles C4'-P-C4' energy: -72.946 flat angles P-C4'-P energy: -49.253 tors. eta vs tors. theta energy: -73.888 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: 9 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -917.170599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.170599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.170599 (E_RNA) where: Base-Base interactions energy: -601.556 where: short stacking energy: -283.273 Base-Backbone interact. energy: -1.772 local terms energy: -313.843244 where: bonds (distance) C4'-P energy: -68.585 bonds (distance) P-C4' energy: -66.488 flat angles C4'-P-C4' energy: -73.021 flat angles P-C4'-P energy: -41.529 tors. eta vs tors. theta energy: -64.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -692.951224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.951224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.951224 (E_RNA) where: Base-Base interactions energy: -431.966 where: short stacking energy: -207.958 Base-Backbone interact. energy: -0.628 local terms energy: -260.357671 where: bonds (distance) C4'-P energy: -57.944 bonds (distance) P-C4' energy: -72.333 flat angles C4'-P-C4' energy: -65.996 flat angles P-C4'-P energy: -30.718 tors. eta vs tors. theta energy: -33.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -451.892677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.892677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.892677 (E_RNA) where: Base-Base interactions energy: -192.838 where: short stacking energy: -124.149 Base-Backbone interact. energy: 0.140 local terms energy: -259.194883 where: bonds (distance) C4'-P energy: -65.882 bonds (distance) P-C4' energy: -73.440 flat angles C4'-P-C4' energy: -70.481 flat angles P-C4'-P energy: -45.032 tors. eta vs tors. theta energy: -4.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1531.881237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.881237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.881237 (E_RNA) where: Base-Base interactions energy: -1071.367 where: short stacking energy: -473.768 Base-Backbone interact. energy: -2.854 local terms energy: -457.660136 where: bonds (distance) C4'-P energy: -77.581 bonds (distance) P-C4' energy: -85.906 flat angles C4'-P-C4' energy: -98.405 flat angles P-C4'-P energy: -65.875 tors. eta vs tors. theta energy: -129.894 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: 2 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1480.536340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.536340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.536340 (E_RNA) where: Base-Base interactions energy: -1030.715 where: short stacking energy: -454.160 Base-Backbone interact. energy: -3.809 local terms energy: -446.012359 where: bonds (distance) C4'-P energy: -68.260 bonds (distance) P-C4' energy: -93.620 flat angles C4'-P-C4' energy: -92.986 flat angles P-C4'-P energy: -67.925 tors. eta vs tors. theta energy: -123.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1417.489306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.489306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.489306 (E_RNA) where: Base-Base interactions energy: -978.370 where: short stacking energy: -417.828 Base-Backbone interact. energy: -0.207 local terms energy: -438.911972 where: bonds (distance) C4'-P energy: -86.079 bonds (distance) P-C4' energy: -81.720 flat angles C4'-P-C4' energy: -97.683 flat angles P-C4'-P energy: -59.897 tors. eta vs tors. theta energy: -113.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1352.481892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.481892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.481892 (E_RNA) where: Base-Base interactions energy: -921.983 where: short stacking energy: -402.139 Base-Backbone interact. energy: -0.911 local terms energy: -429.587311 where: bonds (distance) C4'-P energy: -82.916 bonds (distance) P-C4' energy: -89.979 flat angles C4'-P-C4' energy: -88.830 flat angles P-C4'-P energy: -55.347 tors. eta vs tors. theta energy: -112.516 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: 5, replica: 10 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -1276.994409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.994409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.994409 (E_RNA) where: Base-Base interactions energy: -868.367 where: short stacking energy: -385.653 Base-Backbone interact. energy: -0.572 local terms energy: -408.055680 where: bonds (distance) C4'-P energy: -72.198 bonds (distance) P-C4' energy: -74.216 flat angles C4'-P-C4' energy: -83.533 flat angles P-C4'-P energy: -58.134 tors. eta vs tors. theta energy: -119.974 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: 1 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1157.695543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.695543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.695543 (E_RNA) where: Base-Base interactions energy: -797.025 where: short stacking energy: -338.706 Base-Backbone interact. energy: 6.085 local terms energy: -366.756050 where: bonds (distance) C4'-P energy: -64.164 bonds (distance) P-C4' energy: -87.517 flat angles C4'-P-C4' energy: -81.017 flat angles P-C4'-P energy: -51.918 tors. eta vs tors. theta energy: -82.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1085.487624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.487624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.487624 (E_RNA) where: Base-Base interactions energy: -736.308 where: short stacking energy: -345.652 Base-Backbone interact. energy: -1.205 local terms energy: -347.974471 where: bonds (distance) C4'-P energy: -73.011 bonds (distance) P-C4' energy: -71.585 flat angles C4'-P-C4' energy: -74.979 flat angles P-C4'-P energy: -47.254 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: 8, replica: 9 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -922.779149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.779149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.779149 (E_RNA) where: Base-Base interactions energy: -604.635 where: short stacking energy: -280.407 Base-Backbone interact. energy: -1.598 local terms energy: -316.546367 where: bonds (distance) C4'-P energy: -67.267 bonds (distance) P-C4' energy: -66.227 flat angles C4'-P-C4' energy: -72.341 flat angles P-C4'-P energy: -43.250 tors. eta vs tors. theta energy: -67.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -681.443699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.443699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.443699 (E_RNA) where: Base-Base interactions energy: -422.444 where: short stacking energy: -184.520 Base-Backbone interact. energy: -1.085 local terms energy: -257.914884 where: bonds (distance) C4'-P energy: -74.676 bonds (distance) P-C4' energy: -68.285 flat angles C4'-P-C4' energy: -67.488 flat angles P-C4'-P energy: -27.862 tors. eta vs tors. theta energy: -19.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -465.032120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.032120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.032120 (E_RNA) where: Base-Base interactions energy: -222.488 where: short stacking energy: -152.222 Base-Backbone interact. energy: -1.259 local terms energy: -241.284447 where: bonds (distance) C4'-P energy: -75.400 bonds (distance) P-C4' energy: -73.144 flat angles C4'-P-C4' energy: -60.200 flat angles P-C4'-P energy: -33.849 tors. eta vs tors. theta energy: 1.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1519.907709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.907709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.907709 (E_RNA) where: Base-Base interactions energy: -1076.772 where: short stacking energy: -457.852 Base-Backbone interact. energy: -1.624 local terms energy: -441.512175 where: bonds (distance) C4'-P energy: -76.897 bonds (distance) P-C4' energy: -83.084 flat angles C4'-P-C4' energy: -94.236 flat angles P-C4'-P energy: -62.557 tors. eta vs tors. theta energy: -124.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1489.215198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.215198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.215198 (E_RNA) where: Base-Base interactions energy: -1024.128 where: short stacking energy: -459.434 Base-Backbone interact. energy: 0.113 local terms energy: -465.200050 where: bonds (distance) C4'-P energy: -85.253 bonds (distance) P-C4' energy: -85.006 flat angles C4'-P-C4' energy: -105.567 flat angles P-C4'-P energy: -66.795 tors. eta vs tors. theta energy: -122.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1388.366352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.366352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.366352 (E_RNA) where: Base-Base interactions energy: -934.075 where: short stacking energy: -431.537 Base-Backbone interact. energy: -0.394 local terms energy: -453.897509 where: bonds (distance) C4'-P energy: -89.682 bonds (distance) P-C4' energy: -82.369 flat angles C4'-P-C4' energy: -93.072 flat angles P-C4'-P energy: -66.404 tors. eta vs tors. theta energy: -122.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1403.624174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.624174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.624174 (E_RNA) where: Base-Base interactions energy: -983.614 where: short stacking energy: -419.032 Base-Backbone interact. energy: -1.854 local terms energy: -418.156220 where: bonds (distance) C4'-P energy: -77.526 bonds (distance) P-C4' energy: -85.221 flat angles C4'-P-C4' energy: -86.477 flat angles P-C4'-P energy: -50.909 tors. eta vs tors. theta energy: -118.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1262.313128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.313128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.313128 (E_RNA) where: Base-Base interactions energy: -866.624 where: short stacking energy: -378.769 Base-Backbone interact. energy: -1.154 local terms energy: -394.534911 where: bonds (distance) C4'-P energy: -75.499 bonds (distance) P-C4' energy: -83.443 flat angles C4'-P-C4' energy: -80.203 flat angles P-C4'-P energy: -52.018 tors. eta vs tors. theta energy: -103.373 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: 1 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1163.319385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.319385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.319385 (E_RNA) where: Base-Base interactions energy: -815.703 where: short stacking energy: -353.097 Base-Backbone interact. energy: -1.992 local terms energy: -345.623795 where: bonds (distance) C4'-P energy: -58.027 bonds (distance) P-C4' energy: -58.377 flat angles C4'-P-C4' energy: -85.808 flat angles P-C4'-P energy: -56.734 tors. eta vs tors. theta energy: -86.678 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: 6 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1134.365521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.365521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.365521 (E_RNA) where: Base-Base interactions energy: -801.015 where: short stacking energy: -325.453 Base-Backbone interact. energy: -0.181 local terms energy: -333.169744 where: bonds (distance) C4'-P energy: -59.121 bonds (distance) P-C4' energy: -59.228 flat angles C4'-P-C4' energy: -83.289 flat angles P-C4'-P energy: -46.972 tors. eta vs tors. theta energy: -84.561 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: 8, replica: 9 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1085.201782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.201782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.201782 (E_RNA) where: Base-Base interactions energy: -724.942 where: short stacking energy: -320.892 Base-Backbone interact. energy: -0.370 local terms energy: -359.890151 where: bonds (distance) C4'-P energy: -66.427 bonds (distance) P-C4' energy: -70.309 flat angles C4'-P-C4' energy: -77.997 flat angles P-C4'-P energy: -60.963 tors. eta vs tors. theta energy: -84.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -724.130347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.130347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.130347 (E_RNA) where: Base-Base interactions energy: -450.078 where: short stacking energy: -210.880 Base-Backbone interact. energy: -0.508 local terms energy: -273.544787 where: bonds (distance) C4'-P energy: -71.867 bonds (distance) P-C4' energy: -62.215 flat angles C4'-P-C4' energy: -77.240 flat angles P-C4'-P energy: -33.393 tors. eta vs tors. theta energy: -28.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -475.587821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.587821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.587821 (E_RNA) where: Base-Base interactions energy: -234.993 where: short stacking energy: -145.910 Base-Backbone interact. energy: -2.733 local terms energy: -237.862302 where: bonds (distance) C4'-P energy: -68.386 bonds (distance) P-C4' energy: -69.724 flat angles C4'-P-C4' energy: -60.722 flat angles P-C4'-P energy: -33.530 tors. eta vs tors. theta energy: -5.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1532.535237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.535237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.535237 (E_RNA) where: Base-Base interactions energy: -1045.229 where: short stacking energy: -459.674 Base-Backbone interact. energy: -0.809 local terms energy: -486.497445 where: bonds (distance) C4'-P energy: -98.707 bonds (distance) P-C4' energy: -93.331 flat angles C4'-P-C4' energy: -98.578 flat angles P-C4'-P energy: -65.465 tors. eta vs tors. theta energy: -130.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1492.623122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.623122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.623122 (E_RNA) where: Base-Base interactions energy: -1048.008 where: short stacking energy: -475.264 Base-Backbone interact. energy: -1.910 local terms energy: -442.705164 where: bonds (distance) C4'-P energy: -65.591 bonds (distance) P-C4' energy: -86.426 flat angles C4'-P-C4' energy: -91.738 flat angles P-C4'-P energy: -69.859 tors. eta vs tors. theta energy: -129.090 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: 3, replica: 7 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1402.666859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.666859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.666859 (E_RNA) where: Base-Base interactions energy: -966.961 where: short stacking energy: -425.338 Base-Backbone interact. energy: -1.812 local terms energy: -433.894125 where: bonds (distance) C4'-P energy: -77.631 bonds (distance) P-C4' energy: -81.828 flat angles C4'-P-C4' energy: -94.761 flat angles P-C4'-P energy: -60.554 tors. eta vs tors. theta energy: -119.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1389.175657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.175657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.175657 (E_RNA) where: Base-Base interactions energy: -967.543 where: short stacking energy: -423.402 Base-Backbone interact. energy: -2.783 local terms energy: -418.850340 where: bonds (distance) C4'-P energy: -78.849 bonds (distance) P-C4' energy: -76.949 flat angles C4'-P-C4' energy: -89.330 flat angles P-C4'-P energy: -64.309 tors. eta vs tors. theta energy: -109.412 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: 10 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1286.649523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.649523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.649523 (E_RNA) where: Base-Base interactions energy: -893.435 where: short stacking energy: -396.493 Base-Backbone interact. energy: 1.827 local terms energy: -395.041367 where: bonds (distance) C4'-P energy: -82.279 bonds (distance) P-C4' energy: -57.654 flat angles C4'-P-C4' energy: -87.469 flat angles P-C4'-P energy: -53.329 tors. eta vs tors. theta energy: -114.310 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: 1 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1163.338586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.338586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.338586 (E_RNA) where: Base-Base interactions energy: -802.880 where: short stacking energy: -321.080 Base-Backbone interact. energy: -1.930 local terms energy: -358.528576 where: bonds (distance) C4'-P energy: -62.026 bonds (distance) P-C4' energy: -82.365 flat angles C4'-P-C4' energy: -81.288 flat angles P-C4'-P energy: -53.643 tors. eta vs tors. theta energy: -79.207 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: 7, replica: 6 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1204.484501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.484501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.484501 (E_RNA) where: Base-Base interactions energy: -844.784 where: short stacking energy: -341.007 Base-Backbone interact. energy: -1.073 local terms energy: -358.627535 where: bonds (distance) C4'-P energy: -70.792 bonds (distance) P-C4' energy: -56.191 flat angles C4'-P-C4' energy: -85.948 flat angles P-C4'-P energy: -63.315 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: 8, replica: 9 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1060.647385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.647385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.647385 (E_RNA) where: Base-Base interactions energy: -708.590 where: short stacking energy: -289.405 Base-Backbone interact. energy: -0.255 local terms energy: -351.802571 where: bonds (distance) C4'-P energy: -62.523 bonds (distance) P-C4' energy: -75.536 flat angles C4'-P-C4' energy: -80.636 flat angles P-C4'-P energy: -55.407 tors. eta vs tors. theta energy: -77.700 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: 9, replica: 5 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -754.032360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.032360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.032360 (E_RNA) where: Base-Base interactions energy: -453.579 where: short stacking energy: -206.289 Base-Backbone interact. energy: -0.546 local terms energy: -299.907930 where: bonds (distance) C4'-P energy: -73.906 bonds (distance) P-C4' energy: -82.151 flat angles C4'-P-C4' energy: -78.114 flat angles P-C4'-P energy: -28.711 tors. eta vs tors. theta energy: -37.026 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: 10, replica: 4 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -468.909899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.909899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.909899 (E_RNA) where: Base-Base interactions energy: -212.917 where: short stacking energy: -134.551 Base-Backbone interact. energy: -0.604 local terms energy: -255.389298 where: bonds (distance) C4'-P energy: -49.358 bonds (distance) P-C4' energy: -77.012 flat angles C4'-P-C4' energy: -72.737 flat angles P-C4'-P energy: -54.969 tors. eta vs tors. theta energy: -1.313 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: 1, replica: 2 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1494.660936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.660936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.660936 (E_RNA) where: Base-Base interactions energy: -1038.237 where: short stacking energy: -450.415 Base-Backbone interact. energy: -0.880 local terms energy: -455.544278 where: bonds (distance) C4'-P energy: -86.897 bonds (distance) P-C4' energy: -84.316 flat angles C4'-P-C4' energy: -96.268 flat angles P-C4'-P energy: -58.610 tors. eta vs tors. theta energy: -129.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -1489.762666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.762666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.762666 (E_RNA) where: Base-Base interactions energy: -1046.721 where: short stacking energy: -446.502 Base-Backbone interact. energy: -2.445 local terms energy: -440.596888 where: bonds (distance) C4'-P energy: -80.275 bonds (distance) P-C4' energy: -82.267 flat angles C4'-P-C4' energy: -91.257 flat angles P-C4'-P energy: -62.517 tors. eta vs tors. theta energy: -124.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1411.825209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.825209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.825209 (E_RNA) where: Base-Base interactions energy: -977.886 where: short stacking energy: -418.813 Base-Backbone interact. energy: -0.875 local terms energy: -433.063567 where: bonds (distance) C4'-P energy: -79.618 bonds (distance) P-C4' energy: -77.299 flat angles C4'-P-C4' energy: -95.131 flat angles P-C4'-P energy: -70.172 tors. eta vs tors. theta energy: -110.843 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: 4, replica: 8 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1393.971452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.971452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.971452 (E_RNA) where: Base-Base interactions energy: -961.993 where: short stacking energy: -397.952 Base-Backbone interact. energy: -1.310 local terms energy: -430.668584 where: bonds (distance) C4'-P energy: -78.882 bonds (distance) P-C4' energy: -85.872 flat angles C4'-P-C4' energy: -94.873 flat angles P-C4'-P energy: -55.652 tors. eta vs tors. theta energy: -115.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1202.636609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.636609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.636609 (E_RNA) where: Base-Base interactions energy: -833.593 where: short stacking energy: -365.850 Base-Backbone interact. energy: -0.130 local terms energy: -368.913628 where: bonds (distance) C4'-P energy: -62.329 bonds (distance) P-C4' energy: -86.065 flat angles C4'-P-C4' energy: -81.481 flat angles P-C4'-P energy: -46.755 tors. eta vs tors. theta energy: -92.285 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: 10 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -1224.848432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.848432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.848432 (E_RNA) where: Base-Base interactions energy: -838.715 where: short stacking energy: -394.547 Base-Backbone interact. energy: -3.465 local terms energy: -382.668633 where: bonds (distance) C4'-P energy: -56.795 bonds (distance) P-C4' energy: -65.806 flat angles C4'-P-C4' energy: -85.759 flat angles P-C4'-P energy: -57.633 tors. eta vs tors. theta energy: -116.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1140.985923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.985923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.985923 (E_RNA) where: Base-Base interactions energy: -788.286 where: short stacking energy: -324.793 Base-Backbone interact. energy: -0.796 local terms energy: -351.904286 where: bonds (distance) C4'-P energy: -75.904 bonds (distance) P-C4' energy: -68.268 flat angles C4'-P-C4' energy: -78.532 flat angles P-C4'-P energy: -45.842 tors. eta vs tors. theta energy: -83.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1031.719198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.719198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.719198 (E_RNA) where: Base-Base interactions energy: -710.503 where: short stacking energy: -314.325 Base-Backbone interact. energy: -0.637 local terms energy: -320.579672 where: bonds (distance) C4'-P energy: -59.096 bonds (distance) P-C4' energy: -77.050 flat angles C4'-P-C4' energy: -71.125 flat angles P-C4'-P energy: -36.313 tors. eta vs tors. theta energy: -76.996 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: 5 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -761.580279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.580279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.580279 (E_RNA) where: Base-Base interactions energy: -478.393 where: short stacking energy: -231.558 Base-Backbone interact. energy: -1.374 local terms energy: -281.813829 where: bonds (distance) C4'-P energy: -67.726 bonds (distance) P-C4' energy: -70.103 flat angles C4'-P-C4' energy: -69.359 flat angles P-C4'-P energy: -52.233 tors. eta vs tors. theta energy: -22.393 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: 4 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -443.899655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.899655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.899655 (E_RNA) where: Base-Base interactions energy: -185.251 where: short stacking energy: -134.255 Base-Backbone interact. energy: -0.503 local terms energy: -258.145026 where: bonds (distance) C4'-P energy: -72.054 bonds (distance) P-C4' energy: -79.183 flat angles C4'-P-C4' energy: -70.710 flat angles P-C4'-P energy: -38.315 tors. eta vs tors. theta energy: 2.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1525.322100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.322100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.322100 (E_RNA) where: Base-Base interactions energy: -1061.868 where: short stacking energy: -471.372 Base-Backbone interact. energy: -3.295 local terms energy: -460.158809 where: bonds (distance) C4'-P energy: -85.838 bonds (distance) P-C4' energy: -81.414 flat angles C4'-P-C4' energy: -96.971 flat angles P-C4'-P energy: -66.104 tors. eta vs tors. theta energy: -129.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1492.554363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.554363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.554363 (E_RNA) where: Base-Base interactions energy: -1045.436 where: short stacking energy: -438.159 Base-Backbone interact. energy: -0.420 local terms energy: -446.698672 where: bonds (distance) C4'-P energy: -80.091 bonds (distance) P-C4' energy: -73.354 flat angles C4'-P-C4' energy: -103.864 flat angles P-C4'-P energy: -61.577 tors. eta vs tors. theta energy: -127.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1401.741951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.741951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.741951 (E_RNA) where: Base-Base interactions energy: -962.416 where: short stacking energy: -431.633 Base-Backbone interact. energy: -2.026 local terms energy: -437.299884 where: bonds (distance) C4'-P energy: -85.488 bonds (distance) P-C4' energy: -76.141 flat angles C4'-P-C4' energy: -97.324 flat angles P-C4'-P energy: -51.689 tors. eta vs tors. theta energy: -126.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1446.601362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.601362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.601362 (E_RNA) where: Base-Base interactions energy: -1017.715 where: short stacking energy: -426.046 Base-Backbone interact. energy: -1.487 local terms energy: -427.399853 where: bonds (distance) C4'-P energy: -72.635 bonds (distance) P-C4' energy: -81.463 flat angles C4'-P-C4' energy: -91.936 flat angles P-C4'-P energy: -54.818 tors. eta vs tors. theta energy: -126.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1215.012847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.012847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.012847 (E_RNA) where: Base-Base interactions energy: -841.125 where: short stacking energy: -357.865 Base-Backbone interact. energy: -3.215 local terms energy: -370.672769 where: bonds (distance) C4'-P energy: -66.066 bonds (distance) P-C4' energy: -78.803 flat angles C4'-P-C4' energy: -77.552 flat angles P-C4'-P energy: -49.570 tors. eta vs tors. theta energy: -98.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1270.108905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.108905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.108905 (E_RNA) where: Base-Base interactions energy: -869.743 where: short stacking energy: -382.228 Base-Backbone interact. energy: -1.932 local terms energy: -398.434205 where: bonds (distance) C4'-P energy: -68.256 bonds (distance) P-C4' energy: -80.012 flat angles C4'-P-C4' energy: -76.619 flat angles P-C4'-P energy: -60.069 tors. eta vs tors. theta energy: -113.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1139.206530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.206530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.206530 (E_RNA) where: Base-Base interactions energy: -800.119 where: short stacking energy: -346.828 Base-Backbone interact. energy: -2.339 local terms energy: -336.748140 where: bonds (distance) C4'-P energy: -68.883 bonds (distance) P-C4' energy: -75.697 flat angles C4'-P-C4' energy: -67.121 flat angles P-C4'-P energy: -41.961 tors. eta vs tors. theta energy: -83.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1019.898387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.898387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.898387 (E_RNA) where: Base-Base interactions energy: -697.030 where: short stacking energy: -296.849 Base-Backbone interact. energy: -1.565 local terms energy: -321.303599 where: bonds (distance) C4'-P energy: -66.845 bonds (distance) P-C4' energy: -64.119 flat angles C4'-P-C4' energy: -66.154 flat angles P-C4'-P energy: -50.553 tors. eta vs tors. theta energy: -73.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -816.063488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.063488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.063488 (E_RNA) where: Base-Base interactions energy: -528.431 where: short stacking energy: -249.217 Base-Backbone interact. energy: -0.550 local terms energy: -287.082358 where: bonds (distance) C4'-P energy: -72.309 bonds (distance) P-C4' energy: -74.584 flat angles C4'-P-C4' energy: -60.861 flat angles P-C4'-P energy: -33.535 tors. eta vs tors. theta energy: -45.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -425.743182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.743182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.743182 (E_RNA) where: Base-Base interactions energy: -206.437 where: short stacking energy: -112.836 Base-Backbone interact. energy: -1.776 local terms energy: -217.530174 where: bonds (distance) C4'-P energy: -53.713 bonds (distance) P-C4' energy: -80.928 flat angles C4'-P-C4' energy: -46.537 flat angles P-C4'-P energy: -44.727 tors. eta vs tors. theta energy: 8.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1540.141761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.141761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.141761 (E_RNA) where: Base-Base interactions energy: -1081.971 where: short stacking energy: -491.841 Base-Backbone interact. energy: -0.045 local terms energy: -458.125942 where: bonds (distance) C4'-P energy: -88.429 bonds (distance) P-C4' energy: -80.773 flat angles C4'-P-C4' energy: -90.140 flat angles P-C4'-P energy: -64.822 tors. eta vs tors. theta energy: -133.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1509.802148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.802148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.802148 (E_RNA) where: Base-Base interactions energy: -1059.593 where: short stacking energy: -453.503 Base-Backbone interact. energy: -2.152 local terms energy: -448.056972 where: bonds (distance) C4'-P energy: -77.942 bonds (distance) P-C4' energy: -86.674 flat angles C4'-P-C4' energy: -87.142 flat angles P-C4'-P energy: -64.575 tors. eta vs tors. theta energy: -131.724 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: 8 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1481.974240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.974240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.974240 (E_RNA) where: Base-Base interactions energy: -1046.685 where: short stacking energy: -450.797 Base-Backbone interact. energy: 1.489 local terms energy: -436.777910 where: bonds (distance) C4'-P energy: -67.976 bonds (distance) P-C4' energy: -88.767 flat angles C4'-P-C4' energy: -99.940 flat angles P-C4'-P energy: -57.327 tors. eta vs tors. theta energy: -122.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1381.772883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.772883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.772883 (E_RNA) where: Base-Base interactions energy: -951.808 where: short stacking energy: -417.562 Base-Backbone interact. energy: -1.149 local terms energy: -428.815596 where: bonds (distance) C4'-P energy: -82.456 bonds (distance) P-C4' energy: -80.024 flat angles C4'-P-C4' energy: -93.298 flat angles P-C4'-P energy: -56.950 tors. eta vs tors. theta energy: -116.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -1211.285342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.285342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.285342 (E_RNA) where: Base-Base interactions energy: -837.057 where: short stacking energy: -323.774 Base-Backbone interact. energy: -2.752 local terms energy: -371.475990 where: bonds (distance) C4'-P energy: -78.788 bonds (distance) P-C4' energy: -71.782 flat angles C4'-P-C4' energy: -85.431 flat angles P-C4'-P energy: -62.110 tors. eta vs tors. theta energy: -73.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1235.126560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.126560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.126560 (E_RNA) where: Base-Base interactions energy: -825.362 where: short stacking energy: -382.284 Base-Backbone interact. energy: -1.150 local terms energy: -408.614213 where: bonds (distance) C4'-P energy: -76.528 bonds (distance) P-C4' energy: -78.606 flat angles C4'-P-C4' energy: -93.468 flat angles P-C4'-P energy: -56.952 tors. eta vs tors. theta energy: -103.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1140.666801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.666801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.666801 (E_RNA) where: Base-Base interactions energy: -781.389 where: short stacking energy: -329.612 Base-Backbone interact. energy: -1.752 local terms energy: -357.525787 where: bonds (distance) C4'-P energy: -75.947 bonds (distance) P-C4' energy: -71.088 flat angles C4'-P-C4' energy: -77.787 flat angles P-C4'-P energy: -38.306 tors. eta vs tors. theta energy: -94.398 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: 9 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1068.112103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.112103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.112103 (E_RNA) where: Base-Base interactions energy: -718.806 where: short stacking energy: -336.960 Base-Backbone interact. energy: -0.865 local terms energy: -348.441224 where: bonds (distance) C4'-P energy: -63.269 bonds (distance) P-C4' energy: -70.962 flat angles C4'-P-C4' energy: -75.512 flat angles P-C4'-P energy: -48.583 tors. eta vs tors. theta energy: -90.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -662.551757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.551757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.551757 (E_RNA) where: Base-Base interactions energy: -383.004 where: short stacking energy: -184.647 Base-Backbone interact. energy: -0.457 local terms energy: -279.090899 where: bonds (distance) C4'-P energy: -66.828 bonds (distance) P-C4' energy: -69.825 flat angles C4'-P-C4' energy: -79.580 flat angles P-C4'-P energy: -43.148 tors. eta vs tors. theta energy: -19.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -435.154063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.154063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.154063 (E_RNA) where: Base-Base interactions energy: -183.648 where: short stacking energy: -119.805 Base-Backbone interact. energy: -1.823 local terms energy: -249.683653 where: bonds (distance) C4'-P energy: -77.820 bonds (distance) P-C4' energy: -73.316 flat angles C4'-P-C4' energy: -62.339 flat angles P-C4'-P energy: -36.249 tors. eta vs tors. theta energy: 0.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1514.905059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.905059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.905059 (E_RNA) where: Base-Base interactions energy: -1040.447 where: short stacking energy: -456.633 Base-Backbone interact. energy: -0.912 local terms energy: -473.546799 where: bonds (distance) C4'-P energy: -89.518 bonds (distance) P-C4' energy: -86.415 flat angles C4'-P-C4' energy: -95.285 flat angles P-C4'-P energy: -70.940 tors. eta vs tors. theta energy: -131.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1494.752987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.752987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.752987 (E_RNA) where: Base-Base interactions energy: -1063.566 where: short stacking energy: -435.266 Base-Backbone interact. energy: -1.671 local terms energy: -429.515410 where: bonds (distance) C4'-P energy: -83.538 bonds (distance) P-C4' energy: -71.487 flat angles C4'-P-C4' energy: -90.756 flat angles P-C4'-P energy: -61.826 tors. eta vs tors. theta energy: -121.908 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: 3 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1458.019003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.019003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.019003 (E_RNA) where: Base-Base interactions energy: -1031.066 where: short stacking energy: -429.771 Base-Backbone interact. energy: -0.648 local terms energy: -426.304460 where: bonds (distance) C4'-P energy: -73.828 bonds (distance) P-C4' energy: -88.046 flat angles C4'-P-C4' energy: -88.541 flat angles P-C4'-P energy: -54.761 tors. eta vs tors. theta energy: -121.128 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: 7 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1370.545670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.545670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.545670 (E_RNA) where: Base-Base interactions energy: -940.040 where: short stacking energy: -412.208 Base-Backbone interact. energy: -0.387 local terms energy: -430.118226 where: bonds (distance) C4'-P energy: -78.150 bonds (distance) P-C4' energy: -82.995 flat angles C4'-P-C4' energy: -92.917 flat angles P-C4'-P energy: -54.408 tors. eta vs tors. theta energy: -121.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1188.090914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.090914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.090914 (E_RNA) where: Base-Base interactions energy: -824.001 where: short stacking energy: -340.071 Base-Backbone interact. energy: 0.365 local terms energy: -364.455745 where: bonds (distance) C4'-P energy: -72.612 bonds (distance) P-C4' energy: -72.897 flat angles C4'-P-C4' energy: -76.370 flat angles P-C4'-P energy: -59.036 tors. eta vs tors. theta energy: -83.541 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: 10 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1217.048388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.048388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.048388 (E_RNA) where: Base-Base interactions energy: -835.060 where: short stacking energy: -368.630 Base-Backbone interact. energy: -1.109 local terms energy: -380.878957 where: bonds (distance) C4'-P energy: -67.754 bonds (distance) P-C4' energy: -67.095 flat angles C4'-P-C4' energy: -82.842 flat angles P-C4'-P energy: -62.266 tors. eta vs tors. theta energy: -100.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1152.922268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.922268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.922268 (E_RNA) where: Base-Base interactions energy: -789.294 where: short stacking energy: -360.083 Base-Backbone interact. energy: 0.969 local terms energy: -364.597322 where: bonds (distance) C4'-P energy: -73.274 bonds (distance) P-C4' energy: -66.857 flat angles C4'-P-C4' energy: -85.047 flat angles P-C4'-P energy: -52.334 tors. eta vs tors. theta energy: -87.085 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: 277 Temperature: 1.250000 Total energy: -1032.721948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.721948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.721948 (E_RNA) where: Base-Base interactions energy: -682.999 where: short stacking energy: -308.148 Base-Backbone interact. energy: 1.799 local terms energy: -351.522114 where: bonds (distance) C4'-P energy: -64.639 bonds (distance) P-C4' energy: -85.620 flat angles C4'-P-C4' energy: -78.781 flat angles P-C4'-P energy: -55.408 tors. eta vs tors. theta energy: -67.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -706.548871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.548871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.548871 (E_RNA) where: Base-Base interactions energy: -450.751 where: short stacking energy: -206.738 Base-Backbone interact. energy: 2.605 local terms energy: -258.402963 where: bonds (distance) C4'-P energy: -64.190 bonds (distance) P-C4' energy: -67.571 flat angles C4'-P-C4' energy: -66.925 flat angles P-C4'-P energy: -32.760 tors. eta vs tors. theta energy: -26.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -448.582634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.582634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.582634 (E_RNA) where: Base-Base interactions energy: -205.214 where: short stacking energy: -145.993 Base-Backbone interact. energy: -0.263 local terms energy: -243.105618 where: bonds (distance) C4'-P energy: -70.059 bonds (distance) P-C4' energy: -62.003 flat angles C4'-P-C4' energy: -60.731 flat angles P-C4'-P energy: -47.818 tors. eta vs tors. theta energy: -2.494 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: 2 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1521.812278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.812278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.812278 (E_RNA) where: Base-Base interactions energy: -1061.062 where: short stacking energy: -478.668 Base-Backbone interact. energy: -0.596 local terms energy: -460.154891 where: bonds (distance) C4'-P energy: -87.179 bonds (distance) P-C4' energy: -82.668 flat angles C4'-P-C4' energy: -102.391 flat angles P-C4'-P energy: -64.295 tors. eta vs tors. theta energy: -123.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1497.690724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.690724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.690724 (E_RNA) where: Base-Base interactions energy: -1064.495 where: short stacking energy: -445.034 Base-Backbone interact. energy: -2.197 local terms energy: -430.999104 where: bonds (distance) C4'-P energy: -78.568 bonds (distance) P-C4' energy: -84.190 flat angles C4'-P-C4' energy: -98.401 flat angles P-C4'-P energy: -53.327 tors. eta vs tors. theta energy: -116.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1487.821146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.821146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.821146 (E_RNA) where: Base-Base interactions energy: -1050.455 where: short stacking energy: -459.078 Base-Backbone interact. energy: 4.257 local terms energy: -441.623204 where: bonds (distance) C4'-P energy: -71.285 bonds (distance) P-C4' energy: -85.420 flat angles C4'-P-C4' energy: -94.301 flat angles P-C4'-P energy: -60.585 tors. eta vs tors. theta energy: -130.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1369.623052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.623052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.623052 (E_RNA) where: Base-Base interactions energy: -933.254 where: short stacking energy: -408.928 Base-Backbone interact. energy: -2.447 local terms energy: -433.922332 where: bonds (distance) C4'-P energy: -66.235 bonds (distance) P-C4' energy: -74.986 flat angles C4'-P-C4' energy: -98.546 flat angles P-C4'-P energy: -66.561 tors. eta vs tors. theta energy: -127.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -1252.551917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.551917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.551917 (E_RNA) where: Base-Base interactions energy: -828.568 where: short stacking energy: -376.384 Base-Backbone interact. energy: -0.968 local terms energy: -423.015666 where: bonds (distance) C4'-P energy: -80.078 bonds (distance) P-C4' energy: -89.718 flat angles C4'-P-C4' energy: -91.096 flat angles P-C4'-P energy: -54.818 tors. eta vs tors. theta energy: -107.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1215.412075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.412075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.412075 (E_RNA) where: Base-Base interactions energy: -826.381 where: short stacking energy: -352.756 Base-Backbone interact. energy: -3.361 local terms energy: -385.669499 where: bonds (distance) C4'-P energy: -72.803 bonds (distance) P-C4' energy: -76.818 flat angles C4'-P-C4' energy: -90.329 flat angles P-C4'-P energy: -43.169 tors. eta vs tors. theta energy: -102.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1147.833655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.833655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.833655 (E_RNA) where: Base-Base interactions energy: -789.983 where: short stacking energy: -319.537 Base-Backbone interact. energy: -2.514 local terms energy: -355.336927 where: bonds (distance) C4'-P energy: -79.667 bonds (distance) P-C4' energy: -70.193 flat angles C4'-P-C4' energy: -71.032 flat angles P-C4'-P energy: -54.908 tors. eta vs tors. theta energy: -79.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1101.690094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.690094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.690094 (E_RNA) where: Base-Base interactions energy: -751.002 where: short stacking energy: -329.506 Base-Backbone interact. energy: -0.888 local terms energy: -349.800805 where: bonds (distance) C4'-P energy: -66.871 bonds (distance) P-C4' energy: -70.892 flat angles C4'-P-C4' energy: -78.090 flat angles P-C4'-P energy: -45.725 tors. eta vs tors. theta energy: -88.224 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: 5 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -665.842047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.842047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.842047 (E_RNA) where: Base-Base interactions energy: -408.442 where: short stacking energy: -196.913 Base-Backbone interact. energy: -0.104 local terms energy: -257.296052 where: bonds (distance) C4'-P energy: -56.503 bonds (distance) P-C4' energy: -77.026 flat angles C4'-P-C4' energy: -63.311 flat angles P-C4'-P energy: -36.952 tors. eta vs tors. theta energy: -23.505 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: 4 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -423.690541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.690541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.690541 (E_RNA) where: Base-Base interactions energy: -173.594 where: short stacking energy: -115.864 Base-Backbone interact. energy: 1.309 local terms energy: -251.405275 where: bonds (distance) C4'-P energy: -71.350 bonds (distance) P-C4' energy: -71.427 flat angles C4'-P-C4' energy: -68.474 flat angles P-C4'-P energy: -45.479 tors. eta vs tors. theta energy: 5.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1532.195225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.195225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.195225 (E_RNA) where: Base-Base interactions energy: -1051.655 where: short stacking energy: -473.398 Base-Backbone interact. energy: -0.536 local terms energy: -480.003592 where: bonds (distance) C4'-P energy: -87.170 bonds (distance) P-C4' energy: -85.289 flat angles C4'-P-C4' energy: -100.304 flat angles P-C4'-P energy: -79.477 tors. eta vs tors. theta energy: -127.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1506.105713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.105713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.105713 (E_RNA) where: Base-Base interactions energy: -1056.091 where: short stacking energy: -448.442 Base-Backbone interact. energy: -2.395 local terms energy: -447.619636 where: bonds (distance) C4'-P energy: -79.134 bonds (distance) P-C4' energy: -78.149 flat angles C4'-P-C4' energy: -98.318 flat angles P-C4'-P energy: -69.531 tors. eta vs tors. theta energy: -122.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1465.659387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.659387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.659387 (E_RNA) where: Base-Base interactions energy: -1023.122 where: short stacking energy: -432.845 Base-Backbone interact. energy: -1.604 local terms energy: -440.933410 where: bonds (distance) C4'-P energy: -73.987 bonds (distance) P-C4' energy: -88.780 flat angles C4'-P-C4' energy: -87.001 flat angles P-C4'-P energy: -62.548 tors. eta vs tors. theta energy: -128.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1364.494551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.494551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.494551 (E_RNA) where: Base-Base interactions energy: -953.031 where: short stacking energy: -434.679 Base-Backbone interact. energy: -0.899 local terms energy: -410.564645 where: bonds (distance) C4'-P energy: -65.543 bonds (distance) P-C4' energy: -75.148 flat angles C4'-P-C4' energy: -91.087 flat angles P-C4'-P energy: -50.522 tors. eta vs tors. theta energy: -128.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -1264.822246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.822246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.822246 (E_RNA) where: Base-Base interactions energy: -846.053 where: short stacking energy: -372.732 Base-Backbone interact. energy: -1.393 local terms energy: -417.376913 where: bonds (distance) C4'-P energy: -80.169 bonds (distance) P-C4' energy: -85.859 flat angles C4'-P-C4' energy: -84.980 flat angles P-C4'-P energy: -54.067 tors. eta vs tors. theta energy: -112.302 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: 1 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1155.443319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.443319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.443319 (E_RNA) where: Base-Base interactions energy: -808.590 where: short stacking energy: -346.175 Base-Backbone interact. energy: -0.139 local terms energy: -346.714018 where: bonds (distance) C4'-P energy: -64.484 bonds (distance) P-C4' energy: -66.084 flat angles C4'-P-C4' energy: -92.484 flat angles P-C4'-P energy: -50.804 tors. eta vs tors. theta energy: -72.856 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: 6 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1140.723313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.723313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.723313 (E_RNA) where: Base-Base interactions energy: -796.931 where: short stacking energy: -354.326 Base-Backbone interact. energy: 0.789 local terms energy: -344.581859 where: bonds (distance) C4'-P energy: -70.212 bonds (distance) P-C4' energy: -73.955 flat angles C4'-P-C4' energy: -78.788 flat angles P-C4'-P energy: -35.936 tors. eta vs tors. theta energy: -85.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1067.935026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.935026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.935026 (E_RNA) where: Base-Base interactions energy: -742.635 where: short stacking energy: -316.698 Base-Backbone interact. energy: -1.477 local terms energy: -323.822859 where: bonds (distance) C4'-P energy: -69.910 bonds (distance) P-C4' energy: -53.780 flat angles C4'-P-C4' energy: -87.467 flat angles P-C4'-P energy: -39.491 tors. eta vs tors. theta energy: -73.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -710.971180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.971180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.971180 (E_RNA) where: Base-Base interactions energy: -435.333 where: short stacking energy: -217.590 Base-Backbone interact. energy: 2.225 local terms energy: -277.863254 where: bonds (distance) C4'-P energy: -71.409 bonds (distance) P-C4' energy: -66.206 flat angles C4'-P-C4' energy: -73.100 flat angles P-C4'-P energy: -48.516 tors. eta vs tors. theta energy: -18.632 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: 4 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -455.633098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.633098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.633098 (E_RNA) where: Base-Base interactions energy: -213.355 where: short stacking energy: -126.018 Base-Backbone interact. energy: -0.509 local terms energy: -241.768928 where: bonds (distance) C4'-P energy: -69.787 bonds (distance) P-C4' energy: -87.332 flat angles C4'-P-C4' energy: -45.582 flat angles P-C4'-P energy: -46.135 tors. eta vs tors. theta energy: 7.067 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: 2 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1526.019751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.019751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.019751 (E_RNA) where: Base-Base interactions energy: -1053.511 where: short stacking energy: -473.898 Base-Backbone interact. energy: 1.037 local terms energy: -473.546340 where: bonds (distance) C4'-P energy: -79.016 bonds (distance) P-C4' energy: -89.322 flat angles C4'-P-C4' energy: -101.704 flat angles P-C4'-P energy: -73.795 tors. eta vs tors. theta energy: -129.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1507.141881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.141881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.141881 (E_RNA) where: Base-Base interactions energy: -1057.118 where: short stacking energy: -436.686 Base-Backbone interact. energy: 0.544 local terms energy: -450.567878 where: bonds (distance) C4'-P energy: -79.772 bonds (distance) P-C4' energy: -86.335 flat angles C4'-P-C4' energy: -95.656 flat angles P-C4'-P energy: -67.209 tors. eta vs tors. theta energy: -121.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1470.186357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.186357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.186357 (E_RNA) where: Base-Base interactions energy: -1027.452 where: short stacking energy: -442.774 Base-Backbone interact. energy: -0.957 local terms energy: -441.777539 where: bonds (distance) C4'-P energy: -81.764 bonds (distance) P-C4' energy: -79.042 flat angles C4'-P-C4' energy: -93.482 flat angles P-C4'-P energy: -65.787 tors. eta vs tors. theta energy: -121.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1388.041313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.041313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.041313 (E_RNA) where: Base-Base interactions energy: -965.933 where: short stacking energy: -422.582 Base-Backbone interact. energy: 1.382 local terms energy: -423.489832 where: bonds (distance) C4'-P energy: -72.924 bonds (distance) P-C4' energy: -84.114 flat angles C4'-P-C4' energy: -93.695 flat angles P-C4'-P energy: -49.574 tors. eta vs tors. theta energy: -123.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -1270.991345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.991345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.991345 (E_RNA) where: Base-Base interactions energy: -871.912 where: short stacking energy: -367.746 Base-Backbone interact. energy: -5.222 local terms energy: -393.857655 where: bonds (distance) C4'-P energy: -75.944 bonds (distance) P-C4' energy: -71.669 flat angles C4'-P-C4' energy: -90.446 flat angles P-C4'-P energy: -48.318 tors. eta vs tors. theta energy: -107.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1264.004794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.004794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.004794 (E_RNA) where: Base-Base interactions energy: -877.642 where: short stacking energy: -378.888 Base-Backbone interact. energy: -1.738 local terms energy: -384.624167 where: bonds (distance) C4'-P energy: -63.210 bonds (distance) P-C4' energy: -72.292 flat angles C4'-P-C4' energy: -89.257 flat angles P-C4'-P energy: -63.139 tors. eta vs tors. theta energy: -96.726 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: 6 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1159.398867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.398867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.398867 (E_RNA) where: Base-Base interactions energy: -806.192 where: short stacking energy: -340.419 Base-Backbone interact. energy: 0.630 local terms energy: -353.836872 where: bonds (distance) C4'-P energy: -65.114 bonds (distance) P-C4' energy: -62.314 flat angles C4'-P-C4' energy: -86.637 flat angles P-C4'-P energy: -51.113 tors. eta vs tors. theta energy: -88.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1074.466243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.466243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.466243 (E_RNA) where: Base-Base interactions energy: -726.342 where: short stacking energy: -311.058 Base-Backbone interact. energy: -1.020 local terms energy: -347.105118 where: bonds (distance) C4'-P energy: -68.490 bonds (distance) P-C4' energy: -66.488 flat angles C4'-P-C4' energy: -88.950 flat angles P-C4'-P energy: -56.411 tors. eta vs tors. theta energy: -66.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -709.147404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.147404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.147404 (E_RNA) where: Base-Base interactions energy: -428.390 where: short stacking energy: -212.187 Base-Backbone interact. energy: -2.920 local terms energy: -277.836934 where: bonds (distance) C4'-P energy: -55.222 bonds (distance) P-C4' energy: -71.053 flat angles C4'-P-C4' energy: -72.554 flat angles P-C4'-P energy: -45.658 tors. eta vs tors. theta energy: -33.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -452.520375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.520375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.520375 (E_RNA) where: Base-Base interactions energy: -219.445 where: short stacking energy: -137.062 Base-Backbone interact. energy: -0.412 local terms energy: -232.662965 where: bonds (distance) C4'-P energy: -74.212 bonds (distance) P-C4' energy: -61.648 flat angles C4'-P-C4' energy: -55.964 flat angles P-C4'-P energy: -26.912 tors. eta vs tors. theta energy: -13.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1525.631828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.631828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.631828 (E_RNA) where: Base-Base interactions energy: -1054.134 where: short stacking energy: -466.479 Base-Backbone interact. energy: -2.256 local terms energy: -469.241388 where: bonds (distance) C4'-P energy: -81.336 bonds (distance) P-C4' energy: -81.282 flat angles C4'-P-C4' energy: -103.258 flat angles P-C4'-P energy: -67.159 tors. eta vs tors. theta energy: -136.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1512.570429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.570429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.570429 (E_RNA) where: Base-Base interactions energy: -1031.034 where: short stacking energy: -455.912 Base-Backbone interact. energy: -2.280 local terms energy: -479.256355 where: bonds (distance) C4'-P energy: -88.863 bonds (distance) P-C4' energy: -87.575 flat angles C4'-P-C4' energy: -101.702 flat angles P-C4'-P energy: -72.489 tors. eta vs tors. theta energy: -128.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1514.707061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.707061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.707061 (E_RNA) where: Base-Base interactions energy: -1075.002 where: short stacking energy: -454.433 Base-Backbone interact. energy: -1.147 local terms energy: -438.557474 where: bonds (distance) C4'-P energy: -78.709 bonds (distance) P-C4' energy: -78.688 flat angles C4'-P-C4' energy: -95.856 flat angles P-C4'-P energy: -60.674 tors. eta vs tors. theta energy: -124.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1413.071308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.071308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.071308 (E_RNA) where: Base-Base interactions energy: -991.911 where: short stacking energy: -440.664 Base-Backbone interact. energy: -1.371 local terms energy: -419.788891 where: bonds (distance) C4'-P energy: -72.653 bonds (distance) P-C4' energy: -82.989 flat angles C4'-P-C4' energy: -88.866 flat angles P-C4'-P energy: -50.174 tors. eta vs tors. theta energy: -125.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -1268.729142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.729142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.729142 (E_RNA) where: Base-Base interactions energy: -880.476 where: short stacking energy: -380.417 Base-Backbone interact. energy: -0.282 local terms energy: -387.970918 where: bonds (distance) C4'-P energy: -75.294 bonds (distance) P-C4' energy: -74.303 flat angles C4'-P-C4' energy: -90.265 flat angles P-C4'-P energy: -53.208 tors. eta vs tors. theta energy: -94.902 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: 6, replica: 1 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1198.205252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.205252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.205252 (E_RNA) where: Base-Base interactions energy: -813.488 where: short stacking energy: -358.367 Base-Backbone interact. energy: -3.934 local terms energy: -380.783791 where: bonds (distance) C4'-P energy: -69.352 bonds (distance) P-C4' energy: -84.068 flat angles C4'-P-C4' energy: -85.442 flat angles P-C4'-P energy: -51.132 tors. eta vs tors. theta energy: -90.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1120.968516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.968516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.968516 (E_RNA) where: Base-Base interactions energy: -781.931 where: short stacking energy: -324.404 Base-Backbone interact. energy: -0.307 local terms energy: -338.730486 where: bonds (distance) C4'-P energy: -53.606 bonds (distance) P-C4' energy: -73.367 flat angles C4'-P-C4' energy: -81.925 flat angles P-C4'-P energy: -51.514 tors. eta vs tors. theta energy: -78.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1062.116886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.116886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.116886 (E_RNA) where: Base-Base interactions energy: -716.981 where: short stacking energy: -319.440 Base-Backbone interact. energy: -1.425 local terms energy: -343.711088 where: bonds (distance) C4'-P energy: -62.588 bonds (distance) P-C4' energy: -68.478 flat angles C4'-P-C4' energy: -91.877 flat angles P-C4'-P energy: -45.806 tors. eta vs tors. theta energy: -74.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -684.102317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.102317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.102317 (E_RNA) where: Base-Base interactions energy: -416.413 where: short stacking energy: -213.775 Base-Backbone interact. energy: -0.432 local terms energy: -267.256735 where: bonds (distance) C4'-P energy: -65.972 bonds (distance) P-C4' energy: -65.108 flat angles C4'-P-C4' energy: -65.016 flat angles P-C4'-P energy: -37.311 tors. eta vs tors. theta energy: -33.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -450.774259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.774259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.774259 (E_RNA) where: Base-Base interactions energy: -227.790 where: short stacking energy: -138.471 Base-Backbone interact. energy: 0.041 local terms energy: -223.024898 where: bonds (distance) C4'-P energy: -68.320 bonds (distance) P-C4' energy: -74.122 flat angles C4'-P-C4' energy: -57.065 flat angles P-C4'-P energy: -27.332 tors. eta vs tors. theta energy: 3.813 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: 8 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1540.474818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.474818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.474818 (E_RNA) where: Base-Base interactions energy: -1086.039 where: short stacking energy: -452.256 Base-Backbone interact. energy: -1.472 local terms energy: -452.964148 where: bonds (distance) C4'-P energy: -77.731 bonds (distance) P-C4' energy: -91.376 flat angles C4'-P-C4' energy: -100.734 flat angles P-C4'-P energy: -62.178 tors. eta vs tors. theta energy: -120.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1485.989835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.989835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.989835 (E_RNA) where: Base-Base interactions energy: -1037.242 where: short stacking energy: -455.526 Base-Backbone interact. energy: -2.133 local terms energy: -446.615171 where: bonds (distance) C4'-P energy: -75.176 bonds (distance) P-C4' energy: -74.547 flat angles C4'-P-C4' energy: -93.510 flat angles P-C4'-P energy: -69.729 tors. eta vs tors. theta energy: -133.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1478.786069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.786069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.786069 (E_RNA) where: Base-Base interactions energy: -1036.959 where: short stacking energy: -444.415 Base-Backbone interact. energy: -1.889 local terms energy: -439.937999 where: bonds (distance) C4'-P energy: -79.944 bonds (distance) P-C4' energy: -76.515 flat angles C4'-P-C4' energy: -96.672 flat angles P-C4'-P energy: -62.070 tors. eta vs tors. theta energy: -124.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1419.595302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.595302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.595302 (E_RNA) where: Base-Base interactions energy: -988.053 where: short stacking energy: -424.134 Base-Backbone interact. energy: -3.856 local terms energy: -427.686885 where: bonds (distance) C4'-P energy: -82.776 bonds (distance) P-C4' energy: -77.521 flat angles C4'-P-C4' energy: -89.603 flat angles P-C4'-P energy: -59.136 tors. eta vs tors. theta energy: -118.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -1263.935100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.935100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.935100 (E_RNA) where: Base-Base interactions energy: -857.206 where: short stacking energy: -374.508 Base-Backbone interact. energy: 1.212 local terms energy: -407.941190 where: bonds (distance) C4'-P energy: -66.798 bonds (distance) P-C4' energy: -72.438 flat angles C4'-P-C4' energy: -97.431 flat angles P-C4'-P energy: -63.810 tors. eta vs tors. theta energy: -107.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1224.247768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.247768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.247768 (E_RNA) where: Base-Base interactions energy: -842.246 where: short stacking energy: -363.530 Base-Backbone interact. energy: 0.678 local terms energy: -382.680538 where: bonds (distance) C4'-P energy: -84.367 bonds (distance) P-C4' energy: -79.040 flat angles C4'-P-C4' energy: -85.251 flat angles P-C4'-P energy: -42.374 tors. eta vs tors. theta energy: -91.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1152.546484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.546484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.546484 (E_RNA) where: Base-Base interactions energy: -775.458 where: short stacking energy: -323.246 Base-Backbone interact. energy: -1.760 local terms energy: -375.328254 where: bonds (distance) C4'-P energy: -81.064 bonds (distance) P-C4' energy: -71.930 flat angles C4'-P-C4' energy: -77.286 flat angles P-C4'-P energy: -55.103 tors. eta vs tors. theta energy: -89.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1054.115302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.115302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.115302 (E_RNA) where: Base-Base interactions energy: -704.040 where: short stacking energy: -298.870 Base-Backbone interact. energy: -1.179 local terms energy: -348.896957 where: bonds (distance) C4'-P energy: -76.668 bonds (distance) P-C4' energy: -72.015 flat angles C4'-P-C4' energy: -78.342 flat angles P-C4'-P energy: -52.343 tors. eta vs tors. theta energy: -69.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -686.845794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.845794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.845794 (E_RNA) where: Base-Base interactions energy: -410.610 where: short stacking energy: -209.259 Base-Backbone interact. energy: 0.865 local terms energy: -277.101346 where: bonds (distance) C4'-P energy: -72.643 bonds (distance) P-C4' energy: -68.369 flat angles C4'-P-C4' energy: -66.542 flat angles P-C4'-P energy: -39.561 tors. eta vs tors. theta energy: -29.986 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: 4 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -437.908358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.908358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.908358 (E_RNA) where: Base-Base interactions energy: -200.416 where: short stacking energy: -129.158 Base-Backbone interact. energy: 0.692 local terms energy: -238.184837 where: bonds (distance) C4'-P energy: -62.334 bonds (distance) P-C4' energy: -74.182 flat angles C4'-P-C4' energy: -65.208 flat angles P-C4'-P energy: -35.249 tors. eta vs tors. theta energy: -1.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1540.652884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.652884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.652884 (E_RNA) where: Base-Base interactions energy: -1102.571 where: short stacking energy: -458.285 Base-Backbone interact. energy: -0.463 local terms energy: -437.618375 where: bonds (distance) C4'-P energy: -82.330 bonds (distance) P-C4' energy: -80.056 flat angles C4'-P-C4' energy: -93.980 flat angles P-C4'-P energy: -58.667 tors. eta vs tors. theta energy: -122.586 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: 2, replica: 2 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1472.544888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.544888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.544888 (E_RNA) where: Base-Base interactions energy: -1020.695 where: short stacking energy: -439.981 Base-Backbone interact. energy: 2.009 local terms energy: -453.858879 where: bonds (distance) C4'-P energy: -90.680 bonds (distance) P-C4' energy: -88.821 flat angles C4'-P-C4' energy: -98.319 flat angles P-C4'-P energy: -58.110 tors. eta vs tors. theta energy: -117.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1492.857653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.857653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.857653 (E_RNA) where: Base-Base interactions energy: -1064.302 where: short stacking energy: -460.267 Base-Backbone interact. energy: 0.688 local terms energy: -429.243717 where: bonds (distance) C4'-P energy: -75.631 bonds (distance) P-C4' energy: -82.122 flat angles C4'-P-C4' energy: -95.513 flat angles P-C4'-P energy: -54.401 tors. eta vs tors. theta energy: -121.577 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: 7 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1428.508212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.508212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.508212 (E_RNA) where: Base-Base interactions energy: -977.906 where: short stacking energy: -431.933 Base-Backbone interact. energy: -0.689 local terms energy: -449.912570 where: bonds (distance) C4'-P energy: -85.123 bonds (distance) P-C4' energy: -77.212 flat angles C4'-P-C4' energy: -95.003 flat angles P-C4'-P energy: -65.803 tors. eta vs tors. theta energy: -126.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -1267.657294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.657294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.657294 (E_RNA) where: Base-Base interactions energy: -877.506 where: short stacking energy: -380.849 Base-Backbone interact. energy: -0.405 local terms energy: -389.745801 where: bonds (distance) C4'-P energy: -66.461 bonds (distance) P-C4' energy: -81.143 flat angles C4'-P-C4' energy: -86.199 flat angles P-C4'-P energy: -57.365 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: 6, replica: 1 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1267.215148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.215148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.215148 (E_RNA) where: Base-Base interactions energy: -898.415 where: short stacking energy: -375.137 Base-Backbone interact. energy: -2.837 local terms energy: -365.962408 where: bonds (distance) C4'-P energy: -69.158 bonds (distance) P-C4' energy: -75.914 flat angles C4'-P-C4' energy: -85.651 flat angles P-C4'-P energy: -48.087 tors. eta vs tors. theta energy: -87.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1126.161643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.161643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.161643 (E_RNA) where: Base-Base interactions energy: -773.773 where: short stacking energy: -331.336 Base-Backbone interact. energy: 4.173 local terms energy: -356.562219 where: bonds (distance) C4'-P energy: -80.316 bonds (distance) P-C4' energy: -72.147 flat angles C4'-P-C4' energy: -82.545 flat angles P-C4'-P energy: -38.053 tors. eta vs tors. theta energy: -83.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1087.962173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.962173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.962173 (E_RNA) where: Base-Base interactions energy: -738.953 where: short stacking energy: -326.996 Base-Backbone interact. energy: 0.289 local terms energy: -349.299037 where: bonds (distance) C4'-P energy: -76.321 bonds (distance) P-C4' energy: -63.978 flat angles C4'-P-C4' energy: -78.272 flat angles P-C4'-P energy: -54.040 tors. eta vs tors. theta energy: -76.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -698.705059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.705059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.705059 (E_RNA) where: Base-Base interactions energy: -434.859 where: short stacking energy: -205.326 Base-Backbone interact. energy: -1.818 local terms energy: -262.028170 where: bonds (distance) C4'-P energy: -58.084 bonds (distance) P-C4' energy: -64.001 flat angles C4'-P-C4' energy: -68.407 flat angles P-C4'-P energy: -45.538 tors. eta vs tors. theta energy: -25.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -462.772715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.772715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.772715 (E_RNA) where: Base-Base interactions energy: -234.327 where: short stacking energy: -120.862 Base-Backbone interact. energy: -1.132 local terms energy: -227.313592 where: bonds (distance) C4'-P energy: -61.703 bonds (distance) P-C4' energy: -78.076 flat angles C4'-P-C4' energy: -54.216 flat angles P-C4'-P energy: -36.788 tors. eta vs tors. theta energy: 3.469 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: 284 Temperature: 0.900000 Total energy: -1551.578742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.578742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.578742 (E_RNA) where: Base-Base interactions energy: -1084.727 where: short stacking energy: -470.367 Base-Backbone interact. energy: 0.814 local terms energy: -467.665650 where: bonds (distance) C4'-P energy: -84.814 bonds (distance) P-C4' energy: -94.994 flat angles C4'-P-C4' energy: -96.177 flat angles P-C4'-P energy: -71.015 tors. eta vs tors. theta energy: -120.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1467.744506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.744506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.744506 (E_RNA) where: Base-Base interactions energy: -1019.657 where: short stacking energy: -449.320 Base-Backbone interact. energy: -0.851 local terms energy: -447.236427 where: bonds (distance) C4'-P energy: -79.786 bonds (distance) P-C4' energy: -80.729 flat angles C4'-P-C4' energy: -97.412 flat angles P-C4'-P energy: -66.529 tors. eta vs tors. theta energy: -122.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1476.009354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.009354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.009354 (E_RNA) where: Base-Base interactions energy: -1045.581 where: short stacking energy: -429.229 Base-Backbone interact. energy: 1.196 local terms energy: -431.624138 where: bonds (distance) C4'-P energy: -76.761 bonds (distance) P-C4' energy: -85.106 flat angles C4'-P-C4' energy: -93.392 flat angles P-C4'-P energy: -60.480 tors. eta vs tors. theta energy: -115.886 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: 7 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1396.100059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.100059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.100059 (E_RNA) where: Base-Base interactions energy: -952.538 where: short stacking energy: -434.558 Base-Backbone interact. energy: -0.897 local terms energy: -442.664668 where: bonds (distance) C4'-P energy: -75.414 bonds (distance) P-C4' energy: -80.445 flat angles C4'-P-C4' energy: -94.663 flat angles P-C4'-P energy: -58.857 tors. eta vs tors. theta energy: -133.286 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: 10 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -1265.405594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.405594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.405594 (E_RNA) where: Base-Base interactions energy: -862.919 where: short stacking energy: -392.283 Base-Backbone interact. energy: -1.410 local terms energy: -401.075921 where: bonds (distance) C4'-P energy: -72.441 bonds (distance) P-C4' energy: -67.379 flat angles C4'-P-C4' energy: -96.739 flat angles P-C4'-P energy: -50.456 tors. eta vs tors. theta energy: -114.062 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: 1 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1232.216677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.216677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.216677 (E_RNA) where: Base-Base interactions energy: -855.296 where: short stacking energy: -358.163 Base-Backbone interact. energy: 3.155 local terms energy: -380.075667 where: bonds (distance) C4'-P energy: -72.876 bonds (distance) P-C4' energy: -80.690 flat angles C4'-P-C4' energy: -80.546 flat angles P-C4'-P energy: -60.058 tors. eta vs tors. theta energy: -85.907 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: 7, replica: 6 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1157.273037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.273037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.273037 (E_RNA) where: Base-Base interactions energy: -791.358 where: short stacking energy: -333.295 Base-Backbone interact. energy: -0.729 local terms energy: -365.186047 where: bonds (distance) C4'-P energy: -77.935 bonds (distance) P-C4' energy: -72.337 flat angles C4'-P-C4' energy: -79.900 flat angles P-C4'-P energy: -50.251 tors. eta vs tors. theta energy: -84.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1085.093832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.093832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.093832 (E_RNA) where: Base-Base interactions energy: -747.623 where: short stacking energy: -334.113 Base-Backbone interact. energy: 0.492 local terms energy: -337.962555 where: bonds (distance) C4'-P energy: -74.615 bonds (distance) P-C4' energy: -75.624 flat angles C4'-P-C4' energy: -79.166 flat angles P-C4'-P energy: -40.391 tors. eta vs tors. theta energy: -68.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -723.172917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.172917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.172917 (E_RNA) where: Base-Base interactions energy: -462.663 where: short stacking energy: -222.268 Base-Backbone interact. energy: 2.545 local terms energy: -263.055673 where: bonds (distance) C4'-P energy: -67.383 bonds (distance) P-C4' energy: -77.907 flat angles C4'-P-C4' energy: -71.422 flat angles P-C4'-P energy: -25.289 tors. eta vs tors. theta energy: -21.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -397.547351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.547351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.547351 (E_RNA) where: Base-Base interactions energy: -192.812 where: short stacking energy: -125.036 Base-Backbone interact. energy: -1.012 local terms energy: -203.723997 where: bonds (distance) C4'-P energy: -66.688 bonds (distance) P-C4' energy: -57.727 flat angles C4'-P-C4' energy: -55.628 flat angles P-C4'-P energy: -25.127 tors. eta vs tors. theta energy: 1.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1542.054950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.054950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.054950 (E_RNA) where: Base-Base interactions energy: -1083.624 where: short stacking energy: -467.217 Base-Backbone interact. energy: -0.361 local terms energy: -458.069249 where: bonds (distance) C4'-P energy: -79.177 bonds (distance) P-C4' energy: -89.547 flat angles C4'-P-C4' energy: -96.200 flat angles P-C4'-P energy: -64.383 tors. eta vs tors. theta energy: -128.762 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: 3 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1530.941356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.941356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.941356 (E_RNA) where: Base-Base interactions energy: -1076.048 where: short stacking energy: -460.050 Base-Backbone interact. energy: 0.402 local terms energy: -455.294954 where: bonds (distance) C4'-P energy: -86.596 bonds (distance) P-C4' energy: -90.600 flat angles C4'-P-C4' energy: -91.823 flat angles P-C4'-P energy: -64.421 tors. eta vs tors. theta energy: -121.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1439.972039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.972039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.972039 (E_RNA) where: Base-Base interactions energy: -1004.048 where: short stacking energy: -457.825 Base-Backbone interact. energy: -2.319 local terms energy: -433.605234 where: bonds (distance) C4'-P energy: -73.868 bonds (distance) P-C4' energy: -73.898 flat angles C4'-P-C4' energy: -98.101 flat angles P-C4'-P energy: -67.313 tors. eta vs tors. theta energy: -120.425 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: 7 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1389.093844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.093844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.093844 (E_RNA) where: Base-Base interactions energy: -946.511 where: short stacking energy: -407.326 Base-Backbone interact. energy: 0.652 local terms energy: -443.235245 where: bonds (distance) C4'-P energy: -80.781 bonds (distance) P-C4' energy: -72.003 flat angles C4'-P-C4' energy: -97.205 flat angles P-C4'-P energy: -73.425 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: 5, replica: 10 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -1269.605531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.605531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.605531 (E_RNA) where: Base-Base interactions energy: -890.185 where: short stacking energy: -396.576 Base-Backbone interact. energy: -3.243 local terms energy: -376.177971 where: bonds (distance) C4'-P energy: -44.673 bonds (distance) P-C4' energy: -78.295 flat angles C4'-P-C4' energy: -81.581 flat angles P-C4'-P energy: -58.251 tors. eta vs tors. theta energy: -113.378 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: 1 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1183.016786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.016786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.016786 (E_RNA) where: Base-Base interactions energy: -834.003 where: short stacking energy: -335.479 Base-Backbone interact. energy: 1.043 local terms energy: -350.056348 where: bonds (distance) C4'-P energy: -73.218 bonds (distance) P-C4' energy: -64.446 flat angles C4'-P-C4' energy: -79.090 flat angles P-C4'-P energy: -42.955 tors. eta vs tors. theta energy: -90.348 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: 6 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1185.962320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.962320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.962320 (E_RNA) where: Base-Base interactions energy: -815.913 where: short stacking energy: -361.495 Base-Backbone interact. energy: 2.578 local terms energy: -372.627300 where: bonds (distance) C4'-P energy: -72.531 bonds (distance) P-C4' energy: -72.939 flat angles C4'-P-C4' energy: -87.890 flat angles P-C4'-P energy: -42.022 tors. eta vs tors. theta energy: -97.246 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: 9 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1000.362188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.362188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.362188 (E_RNA) where: Base-Base interactions energy: -659.957 where: short stacking energy: -305.908 Base-Backbone interact. energy: -2.090 local terms energy: -338.315119 where: bonds (distance) C4'-P energy: -82.502 bonds (distance) P-C4' energy: -72.996 flat angles C4'-P-C4' energy: -76.689 flat angles P-C4'-P energy: -37.365 tors. eta vs tors. theta energy: -68.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -715.805897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.805897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.805897 (E_RNA) where: Base-Base interactions energy: -441.529 where: short stacking energy: -202.947 Base-Backbone interact. energy: 3.143 local terms energy: -277.420248 where: bonds (distance) C4'-P energy: -68.845 bonds (distance) P-C4' energy: -72.726 flat angles C4'-P-C4' energy: -72.706 flat angles P-C4'-P energy: -32.629 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: 10, replica: 4 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -442.513765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.513765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.513765 (E_RNA) where: Base-Base interactions energy: -208.397 where: short stacking energy: -124.646 Base-Backbone interact. energy: -1.385 local terms energy: -232.731947 where: bonds (distance) C4'-P energy: -63.451 bonds (distance) P-C4' energy: -74.646 flat angles C4'-P-C4' energy: -52.666 flat angles P-C4'-P energy: -45.836 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: 3 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1542.981948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.981948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.981948 (E_RNA) where: Base-Base interactions energy: -1079.278 where: short stacking energy: -457.962 Base-Backbone interact. energy: -1.344 local terms energy: -462.360097 where: bonds (distance) C4'-P energy: -74.740 bonds (distance) P-C4' energy: -88.799 flat angles C4'-P-C4' energy: -91.315 flat angles P-C4'-P energy: -71.357 tors. eta vs tors. theta energy: -136.149 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: 2, replica: 8 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1519.783389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.783389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.783389 (E_RNA) where: Base-Base interactions energy: -1081.012 where: short stacking energy: -445.632 Base-Backbone interact. energy: 0.219 local terms energy: -438.990791 where: bonds (distance) C4'-P energy: -74.559 bonds (distance) P-C4' energy: -84.562 flat angles C4'-P-C4' energy: -101.698 flat angles P-C4'-P energy: -62.522 tors. eta vs tors. theta energy: -115.649 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: 7 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1397.484023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.484023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.484023 (E_RNA) where: Base-Base interactions energy: -967.832 where: short stacking energy: -439.405 Base-Backbone interact. energy: -2.604 local terms energy: -427.048259 where: bonds (distance) C4'-P energy: -75.378 bonds (distance) P-C4' energy: -79.977 flat angles C4'-P-C4' energy: -90.738 flat angles P-C4'-P energy: -62.800 tors. eta vs tors. theta energy: -118.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1403.642267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.642267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.642267 (E_RNA) where: Base-Base interactions energy: -982.110 where: short stacking energy: -436.739 Base-Backbone interact. energy: -1.043 local terms energy: -420.489937 where: bonds (distance) C4'-P energy: -77.843 bonds (distance) P-C4' energy: -72.929 flat angles C4'-P-C4' energy: -90.154 flat angles P-C4'-P energy: -57.164 tors. eta vs tors. theta energy: -122.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -1292.731033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.731033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.731033 (E_RNA) where: Base-Base interactions energy: -891.362 where: short stacking energy: -393.496 Base-Backbone interact. energy: -0.553 local terms energy: -400.816046 where: bonds (distance) C4'-P energy: -70.151 bonds (distance) P-C4' energy: -86.577 flat angles C4'-P-C4' energy: -95.018 flat angles P-C4'-P energy: -45.290 tors. eta vs tors. theta energy: -103.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1222.965217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.965217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.965217 (E_RNA) where: Base-Base interactions energy: -827.047 where: short stacking energy: -358.126 Base-Backbone interact. energy: -1.202 local terms energy: -394.715656 where: bonds (distance) C4'-P energy: -86.159 bonds (distance) P-C4' energy: -78.274 flat angles C4'-P-C4' energy: -85.046 flat angles P-C4'-P energy: -59.398 tors. eta vs tors. theta energy: -85.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1188.143402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.143402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.143402 (E_RNA) where: Base-Base interactions energy: -815.818 where: short stacking energy: -340.368 Base-Backbone interact. energy: -1.243 local terms energy: -371.081929 where: bonds (distance) C4'-P energy: -66.374 bonds (distance) P-C4' energy: -72.452 flat angles C4'-P-C4' energy: -88.070 flat angles P-C4'-P energy: -50.459 tors. eta vs tors. theta energy: -93.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1072.470090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.470090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.470090 (E_RNA) where: Base-Base interactions energy: -724.439 where: short stacking energy: -321.685 Base-Backbone interact. energy: -2.719 local terms energy: -345.311833 where: bonds (distance) C4'-P energy: -70.581 bonds (distance) P-C4' energy: -77.346 flat angles C4'-P-C4' energy: -81.263 flat angles P-C4'-P energy: -52.162 tors. eta vs tors. theta energy: -63.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -716.939860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.939860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.939860 (E_RNA) where: Base-Base interactions energy: -455.003 where: short stacking energy: -224.428 Base-Backbone interact. energy: -0.245 local terms energy: -261.691169 where: bonds (distance) C4'-P energy: -54.782 bonds (distance) P-C4' energy: -67.094 flat angles C4'-P-C4' energy: -69.857 flat angles P-C4'-P energy: -39.230 tors. eta vs tors. theta energy: -30.727 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: 4 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -427.355971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.355971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.355971 (E_RNA) where: Base-Base interactions energy: -185.545 where: short stacking energy: -117.989 Base-Backbone interact. energy: -2.225 local terms energy: -239.586160 where: bonds (distance) C4'-P energy: -81.270 bonds (distance) P-C4' energy: -70.937 flat angles C4'-P-C4' energy: -51.181 flat angles P-C4'-P energy: -42.114 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: 1, replica: 3 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1546.788407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.788407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.788407 (E_RNA) where: Base-Base interactions energy: -1069.202 where: short stacking energy: -446.617 Base-Backbone interact. energy: -1.849 local terms energy: -475.737516 where: bonds (distance) C4'-P energy: -89.869 bonds (distance) P-C4' energy: -84.155 flat angles C4'-P-C4' energy: -100.080 flat angles P-C4'-P energy: -64.431 tors. eta vs tors. theta energy: -137.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1523.705520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.705520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.705520 (E_RNA) where: Base-Base interactions energy: -1095.040 where: short stacking energy: -450.300 Base-Backbone interact. energy: -2.456 local terms energy: -426.209595 where: bonds (distance) C4'-P energy: -75.605 bonds (distance) P-C4' energy: -77.505 flat angles C4'-P-C4' energy: -92.682 flat angles P-C4'-P energy: -57.329 tors. eta vs tors. theta energy: -123.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1419.681174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.681174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.681174 (E_RNA) where: Base-Base interactions energy: -966.402 where: short stacking energy: -421.665 Base-Backbone interact. energy: -2.306 local terms energy: -450.973590 where: bonds (distance) C4'-P energy: -80.805 bonds (distance) P-C4' energy: -95.842 flat angles C4'-P-C4' energy: -89.991 flat angles P-C4'-P energy: -62.629 tors. eta vs tors. theta energy: -121.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1413.548205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.548205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.548205 (E_RNA) where: Base-Base interactions energy: -987.201 where: short stacking energy: -441.602 Base-Backbone interact. energy: -2.605 local terms energy: -423.742214 where: bonds (distance) C4'-P energy: -81.054 bonds (distance) P-C4' energy: -73.647 flat angles C4'-P-C4' energy: -83.246 flat angles P-C4'-P energy: -59.116 tors. eta vs tors. theta energy: -126.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1282.280687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.280687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.280687 (E_RNA) where: Base-Base interactions energy: -882.616 where: short stacking energy: -409.091 Base-Backbone interact. energy: -2.386 local terms energy: -397.278499 where: bonds (distance) C4'-P energy: -77.307 bonds (distance) P-C4' energy: -75.075 flat angles C4'-P-C4' energy: -89.605 flat angles P-C4'-P energy: -50.327 tors. eta vs tors. theta energy: -104.964 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: 6 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1246.667929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.667929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.667929 (E_RNA) where: Base-Base interactions energy: -861.640 where: short stacking energy: -374.770 Base-Backbone interact. energy: -2.518 local terms energy: -382.509689 where: bonds (distance) C4'-P energy: -78.348 bonds (distance) P-C4' energy: -63.962 flat angles C4'-P-C4' energy: -90.701 flat angles P-C4'-P energy: -49.570 tors. eta vs tors. theta energy: -99.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1163.343332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.343332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.343332 (E_RNA) where: Base-Base interactions energy: -807.860 where: short stacking energy: -346.325 Base-Backbone interact. energy: -0.862 local terms energy: -354.621127 where: bonds (distance) C4'-P energy: -73.120 bonds (distance) P-C4' energy: -71.750 flat angles C4'-P-C4' energy: -79.894 flat angles P-C4'-P energy: -56.116 tors. eta vs tors. theta energy: -73.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1097.659503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.659503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.659503 (E_RNA) where: Base-Base interactions energy: -729.957 where: short stacking energy: -321.760 Base-Backbone interact. energy: -1.115 local terms energy: -366.587373 where: bonds (distance) C4'-P energy: -72.058 bonds (distance) P-C4' energy: -77.922 flat angles C4'-P-C4' energy: -81.230 flat angles P-C4'-P energy: -62.188 tors. eta vs tors. theta energy: -73.190 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: 9, replica: 5 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -744.592878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.592878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.592878 (E_RNA) where: Base-Base interactions energy: -487.086 where: short stacking energy: -219.687 Base-Backbone interact. energy: 1.819 local terms energy: -259.326458 where: bonds (distance) C4'-P energy: -61.109 bonds (distance) P-C4' energy: -68.326 flat angles C4'-P-C4' energy: -69.520 flat angles P-C4'-P energy: -32.706 tors. eta vs tors. theta energy: -27.666 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: 4 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -458.245528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.245528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.245528 (E_RNA) where: Base-Base interactions energy: -231.461 where: short stacking energy: -144.688 Base-Backbone interact. energy: 3.710 local terms energy: -230.494808 where: bonds (distance) C4'-P energy: -62.589 bonds (distance) P-C4' energy: -70.528 flat angles C4'-P-C4' energy: -42.619 flat angles P-C4'-P energy: -41.942 tors. eta vs tors. theta energy: -12.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1554.051105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.051105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.051105 (E_RNA) where: Base-Base interactions energy: -1081.915 where: short stacking energy: -441.834 Base-Backbone interact. energy: -4.413 local terms energy: -467.723097 where: bonds (distance) C4'-P energy: -76.863 bonds (distance) P-C4' energy: -83.045 flat angles C4'-P-C4' energy: -100.493 flat angles P-C4'-P energy: -69.916 tors. eta vs tors. theta energy: -137.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1502.823081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.823081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.823081 (E_RNA) where: Base-Base interactions energy: -1076.352 where: short stacking energy: -458.824 Base-Backbone interact. energy: 1.590 local terms energy: -428.061429 where: bonds (distance) C4'-P energy: -71.912 bonds (distance) P-C4' energy: -79.490 flat angles C4'-P-C4' energy: -85.804 flat angles P-C4'-P energy: -70.616 tors. eta vs tors. theta energy: -120.240 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: 2 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1413.634286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.634286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.634286 (E_RNA) where: Base-Base interactions energy: -975.736 where: short stacking energy: -431.087 Base-Backbone interact. energy: -0.114 local terms energy: -437.784398 where: bonds (distance) C4'-P energy: -70.982 bonds (distance) P-C4' energy: -83.784 flat angles C4'-P-C4' energy: -91.908 flat angles P-C4'-P energy: -66.550 tors. eta vs tors. theta energy: -124.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1384.564690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.564690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.564690 (E_RNA) where: Base-Base interactions energy: -958.357 where: short stacking energy: -399.998 Base-Backbone interact. energy: -0.756 local terms energy: -425.451714 where: bonds (distance) C4'-P energy: -78.864 bonds (distance) P-C4' energy: -82.939 flat angles C4'-P-C4' energy: -99.017 flat angles P-C4'-P energy: -50.073 tors. eta vs tors. theta energy: -114.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1280.653005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.653005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.653005 (E_RNA) where: Base-Base interactions energy: -895.332 where: short stacking energy: -380.286 Base-Backbone interact. energy: 0.302 local terms energy: -385.623397 where: bonds (distance) C4'-P energy: -69.265 bonds (distance) P-C4' energy: -74.628 flat angles C4'-P-C4' energy: -82.191 flat angles P-C4'-P energy: -53.146 tors. eta vs tors. theta energy: -106.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1250.858886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.858886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.858886 (E_RNA) where: Base-Base interactions energy: -840.184 where: short stacking energy: -366.715 Base-Backbone interact. energy: -0.787 local terms energy: -409.888177 where: bonds (distance) C4'-P energy: -76.197 bonds (distance) P-C4' energy: -90.658 flat angles C4'-P-C4' energy: -91.386 flat angles P-C4'-P energy: -53.838 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: 7, replica: 9 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1166.870691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.870691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.870691 (E_RNA) where: Base-Base interactions energy: -813.936 where: short stacking energy: -372.832 Base-Backbone interact. energy: 1.198 local terms energy: -354.131806 where: bonds (distance) C4'-P energy: -58.191 bonds (distance) P-C4' energy: -79.260 flat angles C4'-P-C4' energy: -77.122 flat angles P-C4'-P energy: -48.659 tors. eta vs tors. theta energy: -90.900 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: 1 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1116.103968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.103968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.103968 (E_RNA) where: Base-Base interactions energy: -787.749 where: short stacking energy: -324.234 Base-Backbone interact. energy: -1.472 local terms energy: -326.882323 where: bonds (distance) C4'-P energy: -80.688 bonds (distance) P-C4' energy: -67.546 flat angles C4'-P-C4' energy: -77.264 flat angles P-C4'-P energy: -36.376 tors. eta vs tors. theta energy: -65.008 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: 288 Temperature: 1.300000 Total energy: -746.847138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.847138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.847138 (E_RNA) where: Base-Base interactions energy: -473.962 where: short stacking energy: -220.059 Base-Backbone interact. energy: 1.634 local terms energy: -274.518853 where: bonds (distance) C4'-P energy: -64.042 bonds (distance) P-C4' energy: -72.395 flat angles C4'-P-C4' energy: -72.734 flat angles P-C4'-P energy: -36.085 tors. eta vs tors. theta energy: -29.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -372.133542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.133542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.133542 (E_RNA) where: Base-Base interactions energy: -150.895 where: short stacking energy: -112.963 Base-Backbone interact. energy: 1.618 local terms energy: -222.856349 where: bonds (distance) C4'-P energy: -68.533 bonds (distance) P-C4' energy: -63.007 flat angles C4'-P-C4' energy: -60.933 flat angles P-C4'-P energy: -30.868 tors. eta vs tors. theta energy: 0.485 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: 3 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1546.716152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.716152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.716152 (E_RNA) where: Base-Base interactions energy: -1067.741 where: short stacking energy: -452.308 Base-Backbone interact. energy: -1.139 local terms energy: -477.835447 where: bonds (distance) C4'-P energy: -84.916 bonds (distance) P-C4' energy: -96.668 flat angles C4'-P-C4' energy: -95.897 flat angles P-C4'-P energy: -73.253 tors. eta vs tors. theta energy: -127.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1499.598886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.598886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.598886 (E_RNA) where: Base-Base interactions energy: -1063.466 where: short stacking energy: -456.924 Base-Backbone interact. energy: -1.755 local terms energy: -434.378521 where: bonds (distance) C4'-P energy: -76.320 bonds (distance) P-C4' energy: -72.610 flat angles C4'-P-C4' energy: -91.252 flat angles P-C4'-P energy: -70.163 tors. eta vs tors. theta energy: -124.035 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: 3, replica: 2 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1452.229332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.229332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.229332 (E_RNA) where: Base-Base interactions energy: -1003.371 where: short stacking energy: -436.331 Base-Backbone interact. energy: -1.621 local terms energy: -447.236571 where: bonds (distance) C4'-P energy: -84.858 bonds (distance) P-C4' energy: -79.861 flat angles C4'-P-C4' energy: -90.198 flat angles P-C4'-P energy: -66.703 tors. eta vs tors. theta energy: -125.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1372.005654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.005654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.005654 (E_RNA) where: Base-Base interactions energy: -928.592 where: short stacking energy: -402.970 Base-Backbone interact. energy: -1.512 local terms energy: -441.901439 where: bonds (distance) C4'-P energy: -84.030 bonds (distance) P-C4' energy: -85.427 flat angles C4'-P-C4' energy: -93.887 flat angles P-C4'-P energy: -63.548 tors. eta vs tors. theta energy: -115.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1277.866268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.866268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.866268 (E_RNA) where: Base-Base interactions energy: -875.748 where: short stacking energy: -404.811 Base-Backbone interact. energy: -0.848 local terms energy: -401.270422 where: bonds (distance) C4'-P energy: -64.746 bonds (distance) P-C4' energy: -72.385 flat angles C4'-P-C4' energy: -94.050 flat angles P-C4'-P energy: -48.310 tors. eta vs tors. theta energy: -121.779 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: 6 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1237.990537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.990537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.990537 (E_RNA) where: Base-Base interactions energy: -852.919 where: short stacking energy: -354.736 Base-Backbone interact. energy: 3.098 local terms energy: -388.169059 where: bonds (distance) C4'-P energy: -82.599 bonds (distance) P-C4' energy: -86.244 flat angles C4'-P-C4' energy: -82.974 flat angles P-C4'-P energy: -46.177 tors. eta vs tors. theta energy: -90.175 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: 7, replica: 9 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1118.896672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.896672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.896672 (E_RNA) where: Base-Base interactions energy: -729.719 where: short stacking energy: -324.084 Base-Backbone interact. energy: -1.686 local terms energy: -387.491582 where: bonds (distance) C4'-P energy: -84.133 bonds (distance) P-C4' energy: -84.327 flat angles C4'-P-C4' energy: -81.037 flat angles P-C4'-P energy: -52.700 tors. eta vs tors. theta energy: -85.295 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: 1 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1063.086786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.086786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.086786 (E_RNA) where: Base-Base interactions energy: -733.169 where: short stacking energy: -314.149 Base-Backbone interact. energy: 0.878 local terms energy: -330.796112 where: bonds (distance) C4'-P energy: -63.699 bonds (distance) P-C4' energy: -66.575 flat angles C4'-P-C4' energy: -79.901 flat angles P-C4'-P energy: -49.736 tors. eta vs tors. theta energy: -70.885 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: 5 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -722.107838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.107838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.107838 (E_RNA) where: Base-Base interactions energy: -438.463 where: short stacking energy: -217.421 Base-Backbone interact. energy: -2.200 local terms energy: -281.444195 where: bonds (distance) C4'-P energy: -58.513 bonds (distance) P-C4' energy: -88.795 flat angles C4'-P-C4' energy: -69.190 flat angles P-C4'-P energy: -38.913 tors. eta vs tors. theta energy: -26.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -431.702037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.702037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.702037 (E_RNA) where: Base-Base interactions energy: -205.244 where: short stacking energy: -139.266 Base-Backbone interact. energy: 1.940 local terms energy: -228.398160 where: bonds (distance) C4'-P energy: -79.337 bonds (distance) P-C4' energy: -76.709 flat angles C4'-P-C4' energy: -52.925 flat angles P-C4'-P energy: -26.638 tors. eta vs tors. theta energy: 7.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1542.411152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.411152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.411152 (E_RNA) where: Base-Base interactions energy: -1085.757 where: short stacking energy: -459.473 Base-Backbone interact. energy: -0.112 local terms energy: -456.541938 where: bonds (distance) C4'-P energy: -78.004 bonds (distance) P-C4' energy: -92.195 flat angles C4'-P-C4' energy: -99.792 flat angles P-C4'-P energy: -61.509 tors. eta vs tors. theta energy: -125.042 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: 3 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1535.920068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.920068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.920068 (E_RNA) where: Base-Base interactions energy: -1070.055 where: short stacking energy: -454.812 Base-Backbone interact. energy: -1.047 local terms energy: -464.817840 where: bonds (distance) C4'-P energy: -89.851 bonds (distance) P-C4' energy: -86.210 flat angles C4'-P-C4' energy: -99.280 flat angles P-C4'-P energy: -64.048 tors. eta vs tors. theta energy: -125.429 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: 2 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1440.500171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.500171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.500171 (E_RNA) where: Base-Base interactions energy: -1008.599 where: short stacking energy: -427.507 Base-Backbone interact. energy: -1.274 local terms energy: -430.627633 where: bonds (distance) C4'-P energy: -84.586 bonds (distance) P-C4' energy: -73.464 flat angles C4'-P-C4' energy: -82.653 flat angles P-C4'-P energy: -64.494 tors. eta vs tors. theta energy: -125.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1356.472430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.472430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.472430 (E_RNA) where: Base-Base interactions energy: -953.313 where: short stacking energy: -434.820 Base-Backbone interact. energy: 4.927 local terms energy: -408.087097 where: bonds (distance) C4'-P energy: -69.999 bonds (distance) P-C4' energy: -72.061 flat angles C4'-P-C4' energy: -94.185 flat angles P-C4'-P energy: -50.206 tors. eta vs tors. theta energy: -121.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1278.756362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.756362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.756362 (E_RNA) where: Base-Base interactions energy: -858.211 where: short stacking energy: -359.184 Base-Backbone interact. energy: 1.513 local terms energy: -422.058401 where: bonds (distance) C4'-P energy: -83.033 bonds (distance) P-C4' energy: -87.408 flat angles C4'-P-C4' energy: -90.053 flat angles P-C4'-P energy: -62.256 tors. eta vs tors. theta energy: -99.309 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: 10 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1200.578253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.578253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.578253 (E_RNA) where: Base-Base interactions energy: -815.184 where: short stacking energy: -368.863 Base-Backbone interact. energy: -1.593 local terms energy: -383.800613 where: bonds (distance) C4'-P energy: -59.489 bonds (distance) P-C4' energy: -83.618 flat angles C4'-P-C4' energy: -74.700 flat angles P-C4'-P energy: -61.997 tors. eta vs tors. theta energy: -103.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1108.212397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.212397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.212397 (E_RNA) where: Base-Base interactions energy: -763.997 where: short stacking energy: -343.553 Base-Backbone interact. energy: -1.518 local terms energy: -342.697174 where: bonds (distance) C4'-P energy: -71.021 bonds (distance) P-C4' energy: -63.894 flat angles C4'-P-C4' energy: -89.452 flat angles P-C4'-P energy: -34.371 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: 8, replica: 1 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1074.634263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.634263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.634263 (E_RNA) where: Base-Base interactions energy: -728.618 where: short stacking energy: -291.635 Base-Backbone interact. energy: -4.407 local terms energy: -341.608631 where: bonds (distance) C4'-P energy: -71.893 bonds (distance) P-C4' energy: -64.316 flat angles C4'-P-C4' energy: -73.719 flat angles P-C4'-P energy: -59.574 tors. eta vs tors. theta energy: -72.107 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: 5 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -721.554254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.554254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.554254 (E_RNA) where: Base-Base interactions energy: -456.633 where: short stacking energy: -232.893 Base-Backbone interact. energy: -3.182 local terms energy: -261.739329 where: bonds (distance) C4'-P energy: -73.210 bonds (distance) P-C4' energy: -58.510 flat angles C4'-P-C4' energy: -68.716 flat angles P-C4'-P energy: -32.227 tors. eta vs tors. theta energy: -29.077 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: 4 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -437.631333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.631333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.631333 (E_RNA) where: Base-Base interactions energy: -186.876 where: short stacking energy: -117.705 Base-Backbone interact. energy: -0.022 local terms energy: -250.733697 where: bonds (distance) C4'-P energy: -67.592 bonds (distance) P-C4' energy: -84.022 flat angles C4'-P-C4' energy: -61.692 flat angles P-C4'-P energy: -40.496 tors. eta vs tors. theta energy: 3.068 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: 1, replica: 8 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1518.544555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.544555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.544555 (E_RNA) where: Base-Base interactions energy: -1059.315 where: short stacking energy: -459.316 Base-Backbone interact. energy: -0.028 local terms energy: -459.201475 where: bonds (distance) C4'-P energy: -78.588 bonds (distance) P-C4' energy: -78.799 flat angles C4'-P-C4' energy: -104.429 flat angles P-C4'-P energy: -65.216 tors. eta vs tors. theta energy: -132.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1513.409361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.409361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.409361 (E_RNA) where: Base-Base interactions energy: -1049.410 where: short stacking energy: -430.249 Base-Backbone interact. energy: -1.698 local terms energy: -462.300779 where: bonds (distance) C4'-P energy: -94.466 bonds (distance) P-C4' energy: -90.702 flat angles C4'-P-C4' energy: -89.335 flat angles P-C4'-P energy: -58.793 tors. eta vs tors. theta energy: -129.004 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: 2 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1456.990050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.990050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.990050 (E_RNA) where: Base-Base interactions energy: -989.842 where: short stacking energy: -428.115 Base-Backbone interact. energy: -1.678 local terms energy: -465.470374 where: bonds (distance) C4'-P energy: -80.814 bonds (distance) P-C4' energy: -86.593 flat angles C4'-P-C4' energy: -103.051 flat angles P-C4'-P energy: -64.286 tors. eta vs tors. theta energy: -130.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1367.431909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.431909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.431909 (E_RNA) where: Base-Base interactions energy: -951.043 where: short stacking energy: -418.458 Base-Backbone interact. energy: -1.631 local terms energy: -414.757488 where: bonds (distance) C4'-P energy: -79.110 bonds (distance) P-C4' energy: -69.725 flat angles C4'-P-C4' energy: -87.274 flat angles P-C4'-P energy: -60.245 tors. eta vs tors. theta energy: -118.404 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: 6 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1275.576533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.576533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.576533 (E_RNA) where: Base-Base interactions energy: -888.642 where: short stacking energy: -373.881 Base-Backbone interact. energy: 2.614 local terms energy: -389.549064 where: bonds (distance) C4'-P energy: -76.098 bonds (distance) P-C4' energy: -74.596 flat angles C4'-P-C4' energy: -78.761 flat angles P-C4'-P energy: -64.955 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: 6, replica: 10 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1134.816608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.816608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.816608 (E_RNA) where: Base-Base interactions energy: -774.278 where: short stacking energy: -341.608 Base-Backbone interact. energy: -2.981 local terms energy: -357.557634 where: bonds (distance) C4'-P energy: -70.405 bonds (distance) P-C4' energy: -77.800 flat angles C4'-P-C4' energy: -70.565 flat angles P-C4'-P energy: -53.099 tors. eta vs tors. theta energy: -85.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1135.715140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.715140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.715140 (E_RNA) where: Base-Base interactions energy: -779.838 where: short stacking energy: -348.086 Base-Backbone interact. energy: -1.183 local terms energy: -354.693454 where: bonds (distance) C4'-P energy: -60.961 bonds (distance) P-C4' energy: -64.439 flat angles C4'-P-C4' energy: -81.356 flat angles P-C4'-P energy: -56.388 tors. eta vs tors. theta energy: -91.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1063.939240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.939240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.939240 (E_RNA) where: Base-Base interactions energy: -739.410 where: short stacking energy: -310.148 Base-Backbone interact. energy: -1.627 local terms energy: -322.902138 where: bonds (distance) C4'-P energy: -69.123 bonds (distance) P-C4' energy: -72.541 flat angles C4'-P-C4' energy: -75.565 flat angles P-C4'-P energy: -41.056 tors. eta vs tors. theta energy: -64.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -742.807080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.807080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.807080 (E_RNA) where: Base-Base interactions energy: -467.490 where: short stacking energy: -207.578 Base-Backbone interact. energy: -0.082 local terms energy: -275.234529 where: bonds (distance) C4'-P energy: -57.759 bonds (distance) P-C4' energy: -87.099 flat angles C4'-P-C4' energy: -68.346 flat angles P-C4'-P energy: -46.551 tors. eta vs tors. theta energy: -15.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -382.416187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.416187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.416187 (E_RNA) where: Base-Base interactions energy: -163.609 where: short stacking energy: -96.480 Base-Backbone interact. energy: -1.603 local terms energy: -217.204290 where: bonds (distance) C4'-P energy: -73.201 bonds (distance) P-C4' energy: -60.612 flat angles C4'-P-C4' energy: -42.558 flat angles P-C4'-P energy: -52.652 tors. eta vs tors. theta energy: 11.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1531.480665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.480665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.480665 (E_RNA) where: Base-Base interactions energy: -1073.861 where: short stacking energy: -456.957 Base-Backbone interact. energy: -0.065 local terms energy: -457.554577 where: bonds (distance) C4'-P energy: -79.305 bonds (distance) P-C4' energy: -83.292 flat angles C4'-P-C4' energy: -98.356 flat angles P-C4'-P energy: -71.299 tors. eta vs tors. theta energy: -125.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1502.568795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.568795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.568795 (E_RNA) where: Base-Base interactions energy: -1061.741 where: short stacking energy: -436.538 Base-Backbone interact. energy: -1.494 local terms energy: -439.333735 where: bonds (distance) C4'-P energy: -76.114 bonds (distance) P-C4' energy: -83.097 flat angles C4'-P-C4' energy: -97.018 flat angles P-C4'-P energy: -61.126 tors. eta vs tors. theta energy: -121.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1435.682381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.682381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.682381 (E_RNA) where: Base-Base interactions energy: -998.727 where: short stacking energy: -437.986 Base-Backbone interact. energy: -3.181 local terms energy: -433.773898 where: bonds (distance) C4'-P energy: -82.122 bonds (distance) P-C4' energy: -81.576 flat angles C4'-P-C4' energy: -91.476 flat angles P-C4'-P energy: -57.571 tors. eta vs tors. theta energy: -121.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1398.555459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.555459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.555459 (E_RNA) where: Base-Base interactions energy: -961.507 where: short stacking energy: -437.064 Base-Backbone interact. energy: -1.237 local terms energy: -435.811840 where: bonds (distance) C4'-P energy: -75.336 bonds (distance) P-C4' energy: -76.522 flat angles C4'-P-C4' energy: -92.643 flat angles P-C4'-P energy: -61.857 tors. eta vs tors. theta energy: -129.454 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: 6 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -1278.588829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.588829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.588829 (E_RNA) where: Base-Base interactions energy: -892.680 where: short stacking energy: -370.530 Base-Backbone interact. energy: -2.240 local terms energy: -383.668148 where: bonds (distance) C4'-P energy: -64.910 bonds (distance) P-C4' energy: -83.406 flat angles C4'-P-C4' energy: -82.432 flat angles P-C4'-P energy: -58.043 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: 6, replica: 10 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1184.796840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.796840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.796840 (E_RNA) where: Base-Base interactions energy: -795.811 where: short stacking energy: -356.255 Base-Backbone interact. energy: -0.610 local terms energy: -388.376428 where: bonds (distance) C4'-P energy: -71.476 bonds (distance) P-C4' energy: -83.737 flat angles C4'-P-C4' energy: -81.000 flat angles P-C4'-P energy: -56.920 tors. eta vs tors. theta energy: -95.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1163.685721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.685721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.685721 (E_RNA) where: Base-Base interactions energy: -795.761 where: short stacking energy: -360.228 Base-Backbone interact. energy: -0.637 local terms energy: -367.287484 where: bonds (distance) C4'-P energy: -68.975 bonds (distance) P-C4' energy: -77.723 flat angles C4'-P-C4' energy: -77.977 flat angles P-C4'-P energy: -43.035 tors. eta vs tors. theta energy: -99.578 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: 1 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1070.469675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.469675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.469675 (E_RNA) where: Base-Base interactions energy: -728.197 where: short stacking energy: -314.675 Base-Backbone interact. energy: -1.326 local terms energy: -340.946797 where: bonds (distance) C4'-P energy: -67.802 bonds (distance) P-C4' energy: -81.326 flat angles C4'-P-C4' energy: -65.309 flat angles P-C4'-P energy: -57.309 tors. eta vs tors. theta energy: -69.201 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: 5 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -738.797155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.797155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.797155 (E_RNA) where: Base-Base interactions energy: -447.071 where: short stacking energy: -205.430 Base-Backbone interact. energy: -2.645 local terms energy: -289.081437 where: bonds (distance) C4'-P energy: -79.822 bonds (distance) P-C4' energy: -65.284 flat angles C4'-P-C4' energy: -67.582 flat angles P-C4'-P energy: -41.337 tors. eta vs tors. theta energy: -35.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -387.127012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.127012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.127012 (E_RNA) where: Base-Base interactions energy: -163.500 where: short stacking energy: -110.938 Base-Backbone interact. energy: -0.183 local terms energy: -223.444057 where: bonds (distance) C4'-P energy: -80.649 bonds (distance) P-C4' energy: -70.517 flat angles C4'-P-C4' energy: -64.489 flat angles P-C4'-P energy: -34.899 tors. eta vs tors. theta energy: 27.110 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: 3 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1558.445509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.445509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.445509 (E_RNA) where: Base-Base interactions energy: -1077.875 where: short stacking energy: -466.776 Base-Backbone interact. energy: -2.659 local terms energy: -477.911718 where: bonds (distance) C4'-P energy: -93.658 bonds (distance) P-C4' energy: -86.865 flat angles C4'-P-C4' energy: -99.906 flat angles P-C4'-P energy: -68.452 tors. eta vs tors. theta energy: -129.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1520.325803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.325803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.325803 (E_RNA) where: Base-Base interactions energy: -1074.227 where: short stacking energy: -446.793 Base-Backbone interact. energy: -0.729 local terms energy: -445.369334 where: bonds (distance) C4'-P energy: -84.585 bonds (distance) P-C4' energy: -81.701 flat angles C4'-P-C4' energy: -99.831 flat angles P-C4'-P energy: -57.098 tors. eta vs tors. theta energy: -122.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1476.316785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.316785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.316785 (E_RNA) where: Base-Base interactions energy: -1032.325 where: short stacking energy: -452.456 Base-Backbone interact. energy: 3.678 local terms energy: -447.669939 where: bonds (distance) C4'-P energy: -78.508 bonds (distance) P-C4' energy: -66.485 flat angles C4'-P-C4' energy: -103.303 flat angles P-C4'-P energy: -71.166 tors. eta vs tors. theta energy: -128.208 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: 7 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1342.841847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.841847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.841847 (E_RNA) where: Base-Base interactions energy: -922.010 where: short stacking energy: -395.102 Base-Backbone interact. energy: -0.475 local terms energy: -420.355981 where: bonds (distance) C4'-P energy: -69.655 bonds (distance) P-C4' energy: -91.564 flat angles C4'-P-C4' energy: -90.261 flat angles P-C4'-P energy: -60.424 tors. eta vs tors. theta energy: -108.451 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: 5, replica: 6 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -1313.076322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.076322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.076322 (E_RNA) where: Base-Base interactions energy: -897.017 where: short stacking energy: -387.915 Base-Backbone interact. energy: 0.502 local terms energy: -416.561483 where: bonds (distance) C4'-P energy: -81.389 bonds (distance) P-C4' energy: -85.204 flat angles C4'-P-C4' energy: -96.043 flat angles P-C4'-P energy: -55.101 tors. eta vs tors. theta energy: -98.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1174.413706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.413706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.413706 (E_RNA) where: Base-Base interactions energy: -792.746 where: short stacking energy: -358.533 Base-Backbone interact. energy: -4.014 local terms energy: -377.653943 where: bonds (distance) C4'-P energy: -79.509 bonds (distance) P-C4' energy: -84.895 flat angles C4'-P-C4' energy: -72.576 flat angles P-C4'-P energy: -42.575 tors. eta vs tors. theta energy: -98.099 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: 9 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1144.480264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.480264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.480264 (E_RNA) where: Base-Base interactions energy: -767.803 where: short stacking energy: -342.997 Base-Backbone interact. energy: -0.667 local terms energy: -376.010650 where: bonds (distance) C4'-P energy: -68.155 bonds (distance) P-C4' energy: -73.870 flat angles C4'-P-C4' energy: -80.630 flat angles P-C4'-P energy: -58.853 tors. eta vs tors. theta energy: -94.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1037.187447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.187447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.187447 (E_RNA) where: Base-Base interactions energy: -718.813 where: short stacking energy: -305.156 Base-Backbone interact. energy: -0.789 local terms energy: -317.585165 where: bonds (distance) C4'-P energy: -65.444 bonds (distance) P-C4' energy: -73.553 flat angles C4'-P-C4' energy: -67.074 flat angles P-C4'-P energy: -39.279 tors. eta vs tors. theta energy: -72.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -705.987010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.987010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.987010 (E_RNA) where: Base-Base interactions energy: -426.805 where: short stacking energy: -193.221 Base-Backbone interact. energy: 2.166 local terms energy: -281.348027 where: bonds (distance) C4'-P energy: -71.389 bonds (distance) P-C4' energy: -70.807 flat angles C4'-P-C4' energy: -72.394 flat angles P-C4'-P energy: -50.980 tors. eta vs tors. theta energy: -15.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -447.159426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.159426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.159426 (E_RNA) where: Base-Base interactions energy: -204.764 where: short stacking energy: -142.475 Base-Backbone interact. energy: 5.220 local terms energy: -247.615813 where: bonds (distance) C4'-P energy: -61.547 bonds (distance) P-C4' energy: -77.812 flat angles C4'-P-C4' energy: -56.486 flat angles P-C4'-P energy: -46.265 tors. eta vs tors. theta energy: -5.505 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: 3 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1552.411959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.411959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.411959 (E_RNA) where: Base-Base interactions energy: -1094.517 where: short stacking energy: -474.800 Base-Backbone interact. energy: -1.595 local terms energy: -456.299372 where: bonds (distance) C4'-P energy: -87.768 bonds (distance) P-C4' energy: -81.630 flat angles C4'-P-C4' energy: -101.197 flat angles P-C4'-P energy: -55.842 tors. eta vs tors. theta energy: -129.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1501.828610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.828610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.828610 (E_RNA) where: Base-Base interactions energy: -1059.110 where: short stacking energy: -458.724 Base-Backbone interact. energy: -1.289 local terms energy: -441.428837 where: bonds (distance) C4'-P energy: -79.129 bonds (distance) P-C4' energy: -89.353 flat angles C4'-P-C4' energy: -93.653 flat angles P-C4'-P energy: -51.621 tors. eta vs tors. theta energy: -127.673 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: 2 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1428.312657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.312657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.312657 (E_RNA) where: Base-Base interactions energy: -1008.892 where: short stacking energy: -426.878 Base-Backbone interact. energy: -2.421 local terms energy: -416.999904 where: bonds (distance) C4'-P energy: -70.351 bonds (distance) P-C4' energy: -78.947 flat angles C4'-P-C4' energy: -88.840 flat angles P-C4'-P energy: -69.096 tors. eta vs tors. theta energy: -109.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1354.173237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.173237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.173237 (E_RNA) where: Base-Base interactions energy: -928.956 where: short stacking energy: -410.430 Base-Backbone interact. energy: -1.104 local terms energy: -424.113494 where: bonds (distance) C4'-P energy: -76.851 bonds (distance) P-C4' energy: -87.919 flat angles C4'-P-C4' energy: -90.113 flat angles P-C4'-P energy: -60.308 tors. eta vs tors. theta energy: -108.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -1297.569389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.569389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.569389 (E_RNA) where: Base-Base interactions energy: -882.758 where: short stacking energy: -381.186 Base-Backbone interact. energy: -1.327 local terms energy: -413.484247 where: bonds (distance) C4'-P energy: -61.507 bonds (distance) P-C4' energy: -86.316 flat angles C4'-P-C4' energy: -98.928 flat angles P-C4'-P energy: -54.395 tors. eta vs tors. theta energy: -112.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1236.409618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.409618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.409618 (E_RNA) where: Base-Base interactions energy: -862.854 where: short stacking energy: -392.089 Base-Backbone interact. energy: -2.208 local terms energy: -371.347909 where: bonds (distance) C4'-P energy: -60.923 bonds (distance) P-C4' energy: -83.127 flat angles C4'-P-C4' energy: -73.300 flat angles P-C4'-P energy: -54.397 tors. eta vs tors. theta energy: -99.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1064.755479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.755479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.755479 (E_RNA) where: Base-Base interactions energy: -709.097 where: short stacking energy: -315.094 Base-Backbone interact. energy: -0.827 local terms energy: -354.831952 where: bonds (distance) C4'-P energy: -68.432 bonds (distance) P-C4' energy: -80.890 flat angles C4'-P-C4' energy: -83.736 flat angles P-C4'-P energy: -49.460 tors. eta vs tors. theta energy: -72.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1055.202501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.202501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.202501 (E_RNA) where: Base-Base interactions energy: -707.664 where: short stacking energy: -293.817 Base-Backbone interact. energy: 0.728 local terms energy: -348.267352 where: bonds (distance) C4'-P energy: -74.161 bonds (distance) P-C4' energy: -80.565 flat angles C4'-P-C4' energy: -72.883 flat angles P-C4'-P energy: -50.930 tors. eta vs tors. theta energy: -69.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -724.267035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.267035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.267035 (E_RNA) where: Base-Base interactions energy: -428.725 where: short stacking energy: -205.979 Base-Backbone interact. energy: -1.933 local terms energy: -293.609405 where: bonds (distance) C4'-P energy: -73.202 bonds (distance) P-C4' energy: -83.505 flat angles C4'-P-C4' energy: -69.105 flat angles P-C4'-P energy: -25.248 tors. eta vs tors. theta energy: -42.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -420.985669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.985669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.985669 (E_RNA) where: Base-Base interactions energy: -195.136 where: short stacking energy: -130.393 Base-Backbone interact. energy: 1.184 local terms energy: -227.033733 where: bonds (distance) C4'-P energy: -65.972 bonds (distance) P-C4' energy: -71.390 flat angles C4'-P-C4' energy: -60.392 flat angles P-C4'-P energy: -36.636 tors. eta vs tors. theta energy: 7.357 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: 1, replica: 3 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1556.152996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.152996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.152996 (E_RNA) where: Base-Base interactions energy: -1093.610 where: short stacking energy: -450.693 Base-Backbone interact. energy: -1.468 local terms energy: -461.075084 where: bonds (distance) C4'-P energy: -89.168 bonds (distance) P-C4' energy: -81.480 flat angles C4'-P-C4' energy: -93.249 flat angles P-C4'-P energy: -74.268 tors. eta vs tors. theta energy: -122.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1499.836853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.836853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.836853 (E_RNA) where: Base-Base interactions energy: -1044.377 where: short stacking energy: -445.839 Base-Backbone interact. energy: -0.420 local terms energy: -455.040578 where: bonds (distance) C4'-P energy: -76.495 bonds (distance) P-C4' energy: -93.369 flat angles C4'-P-C4' energy: -99.139 flat angles P-C4'-P energy: -64.956 tors. eta vs tors. theta energy: -121.083 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: 2 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1449.048306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.048306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.048306 (E_RNA) where: Base-Base interactions energy: -991.924 where: short stacking energy: -423.324 Base-Backbone interact. energy: -0.223 local terms energy: -456.900846 where: bonds (distance) C4'-P energy: -83.826 bonds (distance) P-C4' energy: -95.235 flat angles C4'-P-C4' energy: -97.588 flat angles P-C4'-P energy: -65.332 tors. eta vs tors. theta energy: -114.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1324.162676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.162676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.162676 (E_RNA) where: Base-Base interactions energy: -904.590 where: short stacking energy: -391.519 Base-Backbone interact. energy: -0.710 local terms energy: -418.862802 where: bonds (distance) C4'-P energy: -81.530 bonds (distance) P-C4' energy: -73.457 flat angles C4'-P-C4' energy: -95.717 flat angles P-C4'-P energy: -63.001 tors. eta vs tors. theta energy: -105.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -1326.656293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.656293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.656293 (E_RNA) where: Base-Base interactions energy: -920.913 where: short stacking energy: -404.012 Base-Backbone interact. energy: 0.384 local terms energy: -406.127509 where: bonds (distance) C4'-P energy: -71.139 bonds (distance) P-C4' energy: -79.608 flat angles C4'-P-C4' energy: -93.203 flat angles P-C4'-P energy: -59.309 tors. eta vs tors. theta energy: -102.868 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: 10 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1202.762244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.762244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.762244 (E_RNA) where: Base-Base interactions energy: -826.100 where: short stacking energy: -356.669 Base-Backbone interact. energy: 0.120 local terms energy: -376.782300 where: bonds (distance) C4'-P energy: -74.520 bonds (distance) P-C4' energy: -70.042 flat angles C4'-P-C4' energy: -83.542 flat angles P-C4'-P energy: -49.502 tors. eta vs tors. theta energy: -99.175 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: 7, replica: 1 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1024.136988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.136988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.136988 (E_RNA) where: Base-Base interactions energy: -666.307 where: short stacking energy: -304.217 Base-Backbone interact. energy: -2.368 local terms energy: -355.462915 where: bonds (distance) C4'-P energy: -69.907 bonds (distance) P-C4' energy: -87.111 flat angles C4'-P-C4' energy: -77.111 flat angles P-C4'-P energy: -46.235 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: 8, replica: 9 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1031.659363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.659363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.659363 (E_RNA) where: Base-Base interactions energy: -701.018 where: short stacking energy: -308.815 Base-Backbone interact. energy: 1.956 local terms energy: -332.596611 where: bonds (distance) C4'-P energy: -60.983 bonds (distance) P-C4' energy: -88.709 flat angles C4'-P-C4' energy: -69.336 flat angles P-C4'-P energy: -38.524 tors. eta vs tors. theta energy: -75.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -724.286749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.286749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.286749 (E_RNA) where: Base-Base interactions energy: -450.253 where: short stacking energy: -194.147 Base-Backbone interact. energy: 0.439 local terms energy: -274.472656 where: bonds (distance) C4'-P energy: -73.597 bonds (distance) P-C4' energy: -83.689 flat angles C4'-P-C4' energy: -64.790 flat angles P-C4'-P energy: -34.244 tors. eta vs tors. theta energy: -18.153 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: 10, replica: 4 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -418.391625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.391625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.391625 (E_RNA) where: Base-Base interactions energy: -173.125 where: short stacking energy: -114.278 Base-Backbone interact. energy: -0.480 local terms energy: -244.787054 where: bonds (distance) C4'-P energy: -64.189 bonds (distance) P-C4' energy: -82.554 flat angles C4'-P-C4' energy: -62.011 flat angles P-C4'-P energy: -42.737 tors. eta vs tors. theta energy: 6.703 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: 1, replica: 3 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1553.168882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.168882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.168882 (E_RNA) where: Base-Base interactions energy: -1098.553 where: short stacking energy: -463.568 Base-Backbone interact. energy: -3.052 local terms energy: -451.564665 where: bonds (distance) C4'-P energy: -85.342 bonds (distance) P-C4' energy: -81.934 flat angles C4'-P-C4' energy: -97.297 flat angles P-C4'-P energy: -64.331 tors. eta vs tors. theta energy: -122.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1510.360146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.360146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.360146 (E_RNA) where: Base-Base interactions energy: -1056.263 where: short stacking energy: -449.878 Base-Backbone interact. energy: -0.414 local terms energy: -453.683175 where: bonds (distance) C4'-P energy: -75.220 bonds (distance) P-C4' energy: -71.843 flat angles C4'-P-C4' energy: -106.393 flat angles P-C4'-P energy: -67.728 tors. eta vs tors. theta energy: -132.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1445.377198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.377198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.377198 (E_RNA) where: Base-Base interactions energy: -1020.021 where: short stacking energy: -449.953 Base-Backbone interact. energy: -0.704 local terms energy: -424.651919 where: bonds (distance) C4'-P energy: -72.528 bonds (distance) P-C4' energy: -84.840 flat angles C4'-P-C4' energy: -89.942 flat angles P-C4'-P energy: -57.975 tors. eta vs tors. theta energy: -119.367 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: 7 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1349.012198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.012198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.012198 (E_RNA) where: Base-Base interactions energy: -940.300 where: short stacking energy: -415.178 Base-Backbone interact. energy: -1.871 local terms energy: -406.841152 where: bonds (distance) C4'-P energy: -64.060 bonds (distance) P-C4' energy: -77.229 flat angles C4'-P-C4' energy: -88.783 flat angles P-C4'-P energy: -67.740 tors. eta vs tors. theta energy: -109.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1305.235493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.235493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.235493 (E_RNA) where: Base-Base interactions energy: -898.648 where: short stacking energy: -383.812 Base-Backbone interact. energy: -1.456 local terms energy: -405.131919 where: bonds (distance) C4'-P energy: -86.751 bonds (distance) P-C4' energy: -75.232 flat angles C4'-P-C4' energy: -86.402 flat angles P-C4'-P energy: -54.448 tors. eta vs tors. theta energy: -102.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1154.842556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.842556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.842556 (E_RNA) where: Base-Base interactions energy: -799.141 where: short stacking energy: -336.084 Base-Backbone interact. energy: -1.185 local terms energy: -354.516180 where: bonds (distance) C4'-P energy: -72.367 bonds (distance) P-C4' energy: -76.366 flat angles C4'-P-C4' energy: -74.780 flat angles P-C4'-P energy: -38.745 tors. eta vs tors. theta energy: -92.259 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: 1 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1013.198212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.198212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.198212 (E_RNA) where: Base-Base interactions energy: -685.301 where: short stacking energy: -307.135 Base-Backbone interact. energy: 3.151 local terms energy: -331.047579 where: bonds (distance) C4'-P energy: -68.643 bonds (distance) P-C4' energy: -84.617 flat angles C4'-P-C4' energy: -83.174 flat angles P-C4'-P energy: -44.393 tors. eta vs tors. theta energy: -50.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1085.124133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.124133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.124133 (E_RNA) where: Base-Base interactions energy: -741.602 where: short stacking energy: -317.858 Base-Backbone interact. energy: 4.341 local terms energy: -347.863102 where: bonds (distance) C4'-P energy: -61.970 bonds (distance) P-C4' energy: -73.874 flat angles C4'-P-C4' energy: -77.872 flat angles P-C4'-P energy: -64.658 tors. eta vs tors. theta energy: -69.488 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: 9, replica: 5 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -719.399374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.399374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.399374 (E_RNA) where: Base-Base interactions energy: -457.432 where: short stacking energy: -224.223 Base-Backbone interact. energy: -2.004 local terms energy: -259.962587 where: bonds (distance) C4'-P energy: -67.748 bonds (distance) P-C4' energy: -59.768 flat angles C4'-P-C4' energy: -62.851 flat angles P-C4'-P energy: -41.313 tors. eta vs tors. theta energy: -28.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -445.805947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.805947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.805947 (E_RNA) where: Base-Base interactions energy: -213.374 where: short stacking energy: -141.107 Base-Backbone interact. energy: 3.242 local terms energy: -235.673772 where: bonds (distance) C4'-P energy: -61.446 bonds (distance) P-C4' energy: -66.236 flat angles C4'-P-C4' energy: -68.998 flat angles P-C4'-P energy: -27.118 tors. eta vs tors. theta energy: -11.875 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: 3 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1551.000588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.000588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.000588 (E_RNA) where: Base-Base interactions energy: -1100.566 where: short stacking energy: -473.575 Base-Backbone interact. energy: -5.227 local terms energy: -445.207568 where: bonds (distance) C4'-P energy: -76.666 bonds (distance) P-C4' energy: -87.900 flat angles C4'-P-C4' energy: -98.014 flat angles P-C4'-P energy: -61.691 tors. eta vs tors. theta energy: -120.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1504.850015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.850015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.850015 (E_RNA) where: Base-Base interactions energy: -1055.560 where: short stacking energy: -448.803 Base-Backbone interact. energy: 1.446 local terms energy: -450.736611 where: bonds (distance) C4'-P energy: -80.127 bonds (distance) P-C4' energy: -82.876 flat angles C4'-P-C4' energy: -99.869 flat angles P-C4'-P energy: -69.114 tors. eta vs tors. theta energy: -118.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1471.779537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.779537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.779537 (E_RNA) where: Base-Base interactions energy: -1020.788 where: short stacking energy: -452.853 Base-Backbone interact. energy: -0.106 local terms energy: -450.885267 where: bonds (distance) C4'-P energy: -80.806 bonds (distance) P-C4' energy: -74.412 flat angles C4'-P-C4' energy: -90.596 flat angles P-C4'-P energy: -72.916 tors. eta vs tors. theta energy: -132.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1327.182670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.182670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.182670 (E_RNA) where: Base-Base interactions energy: -915.411 where: short stacking energy: -410.202 Base-Backbone interact. energy: -1.551 local terms energy: -410.221127 where: bonds (distance) C4'-P energy: -73.748 bonds (distance) P-C4' energy: -90.221 flat angles C4'-P-C4' energy: -87.384 flat angles P-C4'-P energy: -51.785 tors. eta vs tors. theta energy: -107.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -1337.217045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.217045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.217045 (E_RNA) where: Base-Base interactions energy: -941.817 where: short stacking energy: -388.764 Base-Backbone interact. energy: -2.699 local terms energy: -392.701330 where: bonds (distance) C4'-P energy: -76.144 bonds (distance) P-C4' energy: -75.675 flat angles C4'-P-C4' energy: -83.385 flat angles P-C4'-P energy: -61.470 tors. eta vs tors. theta energy: -96.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1199.593437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.593437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.593437 (E_RNA) where: Base-Base interactions energy: -848.949 where: short stacking energy: -375.512 Base-Backbone interact. energy: -0.718 local terms energy: -349.926143 where: bonds (distance) C4'-P energy: -53.610 bonds (distance) P-C4' energy: -66.474 flat angles C4'-P-C4' energy: -86.003 flat angles P-C4'-P energy: -46.827 tors. eta vs tors. theta energy: -97.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1056.906242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.906242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.906242 (E_RNA) where: Base-Base interactions energy: -727.498 where: short stacking energy: -306.440 Base-Backbone interact. energy: 0.202 local terms energy: -329.610783 where: bonds (distance) C4'-P energy: -75.719 bonds (distance) P-C4' energy: -70.741 flat angles C4'-P-C4' energy: -79.683 flat angles P-C4'-P energy: -48.346 tors. eta vs tors. theta energy: -55.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1068.537863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.537863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.537863 (E_RNA) where: Base-Base interactions energy: -703.818 where: short stacking energy: -333.822 Base-Backbone interact. energy: 0.595 local terms energy: -365.314685 where: bonds (distance) C4'-P energy: -74.733 bonds (distance) P-C4' energy: -57.163 flat angles C4'-P-C4' energy: -81.754 flat angles P-C4'-P energy: -65.955 tors. eta vs tors. theta energy: -85.709 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: 5 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -721.833863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.833863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.833863 (E_RNA) where: Base-Base interactions energy: -425.150 where: short stacking energy: -216.050 Base-Backbone interact. energy: -0.495 local terms energy: -296.188791 where: bonds (distance) C4'-P energy: -71.536 bonds (distance) P-C4' energy: -77.689 flat angles C4'-P-C4' energy: -69.943 flat angles P-C4'-P energy: -46.432 tors. eta vs tors. theta energy: -30.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -456.881972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.881972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.881972 (E_RNA) where: Base-Base interactions energy: -236.725 where: short stacking energy: -156.408 Base-Backbone interact. energy: -1.060 local terms energy: -219.096172 where: bonds (distance) C4'-P energy: -59.745 bonds (distance) P-C4' energy: -63.583 flat angles C4'-P-C4' energy: -65.705 flat angles P-C4'-P energy: -28.903 tors. eta vs tors. theta energy: -1.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1556.734218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.734218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.734218 (E_RNA) where: Base-Base interactions energy: -1086.745 where: short stacking energy: -458.177 Base-Backbone interact. energy: -1.621 local terms energy: -468.368333 where: bonds (distance) C4'-P energy: -89.955 bonds (distance) P-C4' energy: -92.859 flat angles C4'-P-C4' energy: -100.911 flat angles P-C4'-P energy: -67.887 tors. eta vs tors. theta energy: -116.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1530.241963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.241963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.241963 (E_RNA) where: Base-Base interactions energy: -1091.601 where: short stacking energy: -449.545 Base-Backbone interact. energy: -1.765 local terms energy: -436.875930 where: bonds (distance) C4'-P energy: -83.230 bonds (distance) P-C4' energy: -76.997 flat angles C4'-P-C4' energy: -95.498 flat angles P-C4'-P energy: -54.859 tors. eta vs tors. theta energy: -126.291 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: 2 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1463.214501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.214501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.214501 (E_RNA) where: Base-Base interactions energy: -1017.185 where: short stacking energy: -449.508 Base-Backbone interact. energy: -0.414 local terms energy: -445.615013 where: bonds (distance) C4'-P energy: -76.907 bonds (distance) P-C4' energy: -83.775 flat angles C4'-P-C4' energy: -95.257 flat angles P-C4'-P energy: -63.566 tors. eta vs tors. theta energy: -126.111 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: 7 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1337.989577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.989577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.989577 (E_RNA) where: Base-Base interactions energy: -936.871 where: short stacking energy: -392.586 Base-Backbone interact. energy: -0.560 local terms energy: -400.558148 where: bonds (distance) C4'-P energy: -70.725 bonds (distance) P-C4' energy: -86.875 flat angles C4'-P-C4' energy: -85.426 flat angles P-C4'-P energy: -55.876 tors. eta vs tors. theta energy: -101.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -1352.923740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.923740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.923740 (E_RNA) where: Base-Base interactions energy: -920.452 where: short stacking energy: -417.517 Base-Backbone interact. energy: -2.636 local terms energy: -429.835048 where: bonds (distance) C4'-P energy: -86.565 bonds (distance) P-C4' energy: -83.065 flat angles C4'-P-C4' energy: -93.463 flat angles P-C4'-P energy: -49.991 tors. eta vs tors. theta energy: -116.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -1185.290906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.290906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.290906 (E_RNA) where: Base-Base interactions energy: -801.817 where: short stacking energy: -359.071 Base-Backbone interact. energy: -0.099 local terms energy: -383.375529 where: bonds (distance) C4'-P energy: -73.119 bonds (distance) P-C4' energy: -77.340 flat angles C4'-P-C4' energy: -90.261 flat angles P-C4'-P energy: -52.912 tors. eta vs tors. theta energy: -89.743 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: 7, replica: 1 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1079.954849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.954849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.954849 (E_RNA) where: Base-Base interactions energy: -749.220 where: short stacking energy: -324.814 Base-Backbone interact. energy: -1.385 local terms energy: -329.349617 where: bonds (distance) C4'-P energy: -61.006 bonds (distance) P-C4' energy: -75.559 flat angles C4'-P-C4' energy: -70.402 flat angles P-C4'-P energy: -51.138 tors. eta vs tors. theta energy: -71.245 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: 8, replica: 9 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1095.407077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.407077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.407077 (E_RNA) where: Base-Base interactions energy: -738.239 where: short stacking energy: -336.230 Base-Backbone interact. energy: -1.977 local terms energy: -355.190876 where: bonds (distance) C4'-P energy: -75.352 bonds (distance) P-C4' energy: -69.941 flat angles C4'-P-C4' energy: -73.173 flat angles P-C4'-P energy: -45.370 tors. eta vs tors. theta energy: -91.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -777.116996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.116996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.116996 (E_RNA) where: Base-Base interactions energy: -494.116 where: short stacking energy: -231.914 Base-Backbone interact. energy: -0.593 local terms energy: -282.408084 where: bonds (distance) C4'-P energy: -78.834 bonds (distance) P-C4' energy: -66.239 flat angles C4'-P-C4' energy: -51.712 flat angles P-C4'-P energy: -44.577 tors. eta vs tors. theta energy: -41.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -441.779477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.779477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.779477 (E_RNA) where: Base-Base interactions energy: -202.104 where: short stacking energy: -117.961 Base-Backbone interact. energy: 5.640 local terms energy: -245.315916 where: bonds (distance) C4'-P energy: -86.517 bonds (distance) P-C4' energy: -71.065 flat angles C4'-P-C4' energy: -63.682 flat angles P-C4'-P energy: -29.711 tors. eta vs tors. theta energy: 5.659 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: 8 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1535.413923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.413923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.413923 (E_RNA) where: Base-Base interactions energy: -1064.046 where: short stacking energy: -460.205 Base-Backbone interact. energy: -0.186 local terms energy: -471.181942 where: bonds (distance) C4'-P energy: -96.864 bonds (distance) P-C4' energy: -89.575 flat angles C4'-P-C4' energy: -89.751 flat angles P-C4'-P energy: -68.303 tors. eta vs tors. theta energy: -126.690 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: 3 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1540.578166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.578166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.578166 (E_RNA) where: Base-Base interactions energy: -1090.640 where: short stacking energy: -457.468 Base-Backbone interact. energy: -1.757 local terms energy: -448.180583 where: bonds (distance) C4'-P energy: -74.925 bonds (distance) P-C4' energy: -90.285 flat angles C4'-P-C4' energy: -101.273 flat angles P-C4'-P energy: -63.409 tors. eta vs tors. theta energy: -118.289 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: 2 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1465.079483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.079483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.079483 (E_RNA) where: Base-Base interactions energy: -1024.639 where: short stacking energy: -453.235 Base-Backbone interact. energy: 0.117 local terms energy: -440.558203 where: bonds (distance) C4'-P energy: -74.836 bonds (distance) P-C4' energy: -76.801 flat angles C4'-P-C4' energy: -96.018 flat angles P-C4'-P energy: -64.574 tors. eta vs tors. theta energy: -128.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -1351.318884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.318884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.318884 (E_RNA) where: Base-Base interactions energy: -933.874 where: short stacking energy: -375.153 Base-Backbone interact. energy: -1.358 local terms energy: -416.086512 where: bonds (distance) C4'-P energy: -78.545 bonds (distance) P-C4' energy: -89.163 flat angles C4'-P-C4' energy: -89.422 flat angles P-C4'-P energy: -60.102 tors. eta vs tors. theta energy: -98.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -1344.967980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.967980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.967980 (E_RNA) where: Base-Base interactions energy: -945.991 where: short stacking energy: -409.499 Base-Backbone interact. energy: -3.356 local terms energy: -395.621209 where: bonds (distance) C4'-P energy: -75.279 bonds (distance) P-C4' energy: -68.980 flat angles C4'-P-C4' energy: -91.600 flat angles P-C4'-P energy: -50.471 tors. eta vs tors. theta energy: -109.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -1210.319066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.319066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.319066 (E_RNA) where: Base-Base interactions energy: -831.570 where: short stacking energy: -372.740 Base-Backbone interact. energy: -1.924 local terms energy: -376.824772 where: bonds (distance) C4'-P energy: -67.437 bonds (distance) P-C4' energy: -72.260 flat angles C4'-P-C4' energy: -82.027 flat angles P-C4'-P energy: -52.586 tors. eta vs tors. theta energy: -102.516 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: 1 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1066.037046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.037046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.037046 (E_RNA) where: Base-Base interactions energy: -728.833 where: short stacking energy: -323.145 Base-Backbone interact. energy: -0.386 local terms energy: -336.818078 where: bonds (distance) C4'-P energy: -72.139 bonds (distance) P-C4' energy: -67.938 flat angles C4'-P-C4' energy: -74.104 flat angles P-C4'-P energy: -45.605 tors. eta vs tors. theta energy: -77.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1081.777152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.777152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.777152 (E_RNA) where: Base-Base interactions energy: -725.923 where: short stacking energy: -295.673 Base-Backbone interact. energy: 1.620 local terms energy: -357.474271 where: bonds (distance) C4'-P energy: -68.720 bonds (distance) P-C4' energy: -74.814 flat angles C4'-P-C4' energy: -77.860 flat angles P-C4'-P energy: -56.228 tors. eta vs tors. theta energy: -79.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -724.557147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.557147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.557147 (E_RNA) where: Base-Base interactions energy: -444.325 where: short stacking energy: -214.648 Base-Backbone interact. energy: 0.845 local terms energy: -281.077213 where: bonds (distance) C4'-P energy: -67.946 bonds (distance) P-C4' energy: -76.226 flat angles C4'-P-C4' energy: -65.745 flat angles P-C4'-P energy: -40.483 tors. eta vs tors. theta energy: -30.677 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: 4 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -413.460242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.460242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.460242 (E_RNA) where: Base-Base interactions energy: -206.765 where: short stacking energy: -137.184 Base-Backbone interact. energy: -0.266 local terms energy: -206.429535 where: bonds (distance) C4'-P energy: -48.124 bonds (distance) P-C4' energy: -70.823 flat angles C4'-P-C4' energy: -51.894 flat angles P-C4'-P energy: -41.081 tors. eta vs tors. theta energy: 5.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1569.464312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.464312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.464312 (E_RNA) where: Base-Base interactions energy: -1121.834 where: short stacking energy: -470.455 Base-Backbone interact. energy: 0.216 local terms energy: -447.846958 where: bonds (distance) C4'-P energy: -70.905 bonds (distance) P-C4' energy: -81.772 flat angles C4'-P-C4' energy: -92.810 flat angles P-C4'-P energy: -72.139 tors. eta vs tors. theta energy: -130.221 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: 8 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1529.754835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.754835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.754835 (E_RNA) where: Base-Base interactions energy: -1082.360 where: short stacking energy: -461.089 Base-Backbone interact. energy: -0.559 local terms energy: -446.835275 where: bonds (distance) C4'-P energy: -80.940 bonds (distance) P-C4' energy: -76.622 flat angles C4'-P-C4' energy: -92.670 flat angles P-C4'-P energy: -66.870 tors. eta vs tors. theta energy: -129.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1471.532713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.532713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.532713 (E_RNA) where: Base-Base interactions energy: -1028.416 where: short stacking energy: -461.081 Base-Backbone interact. energy: -1.295 local terms energy: -441.821834 where: bonds (distance) C4'-P energy: -75.030 bonds (distance) P-C4' energy: -78.134 flat angles C4'-P-C4' energy: -97.703 flat angles P-C4'-P energy: -62.496 tors. eta vs tors. theta energy: -128.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1362.751090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.751090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.751090 (E_RNA) where: Base-Base interactions energy: -950.492 where: short stacking energy: -412.292 Base-Backbone interact. energy: -2.489 local terms energy: -409.770629 where: bonds (distance) C4'-P energy: -60.655 bonds (distance) P-C4' energy: -81.985 flat angles C4'-P-C4' energy: -87.250 flat angles P-C4'-P energy: -59.023 tors. eta vs tors. theta energy: -120.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1306.213178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.213178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.213178 (E_RNA) where: Base-Base interactions energy: -922.353 where: short stacking energy: -404.250 Base-Backbone interact. energy: -0.129 local terms energy: -383.731807 where: bonds (distance) C4'-P energy: -78.203 bonds (distance) P-C4' energy: -76.585 flat angles C4'-P-C4' energy: -77.528 flat angles P-C4'-P energy: -47.213 tors. eta vs tors. theta energy: -104.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -1225.342405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.342405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.342405 (E_RNA) where: Base-Base interactions energy: -851.236 where: short stacking energy: -368.197 Base-Backbone interact. energy: -1.519 local terms energy: -372.587582 where: bonds (distance) C4'-P energy: -56.671 bonds (distance) P-C4' energy: -85.906 flat angles C4'-P-C4' energy: -75.927 flat angles P-C4'-P energy: -52.664 tors. eta vs tors. theta energy: -101.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1096.947575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.947575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.947575 (E_RNA) where: Base-Base interactions energy: -738.169 where: short stacking energy: -316.036 Base-Backbone interact. energy: 3.189 local terms energy: -361.967738 where: bonds (distance) C4'-P energy: -83.134 bonds (distance) P-C4' energy: -76.208 flat angles C4'-P-C4' energy: -76.605 flat angles P-C4'-P energy: -48.430 tors. eta vs tors. theta energy: -77.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1035.676819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.676819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.676819 (E_RNA) where: Base-Base interactions energy: -694.651 where: short stacking energy: -286.568 Base-Backbone interact. energy: 0.814 local terms energy: -341.839749 where: bonds (distance) C4'-P energy: -60.707 bonds (distance) P-C4' energy: -85.946 flat angles C4'-P-C4' energy: -80.539 flat angles P-C4'-P energy: -44.272 tors. eta vs tors. theta energy: -70.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -727.549499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.549499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.549499 (E_RNA) where: Base-Base interactions energy: -447.575 where: short stacking energy: -210.340 Base-Backbone interact. energy: -0.018 local terms energy: -279.956266 where: bonds (distance) C4'-P energy: -72.747 bonds (distance) P-C4' energy: -71.727 flat angles C4'-P-C4' energy: -68.721 flat angles P-C4'-P energy: -40.809 tors. eta vs tors. theta energy: -25.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -428.202911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.202911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.202911 (E_RNA) where: Base-Base interactions energy: -195.126 where: short stacking energy: -131.406 Base-Backbone interact. energy: 1.145 local terms energy: -234.222485 where: bonds (distance) C4'-P energy: -66.218 bonds (distance) P-C4' energy: -72.711 flat angles C4'-P-C4' energy: -55.386 flat angles P-C4'-P energy: -42.374 tors. eta vs tors. theta energy: 2.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1558.097656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.097656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.097656 (E_RNA) where: Base-Base interactions energy: -1090.528 where: short stacking energy: -469.978 Base-Backbone interact. energy: -1.194 local terms energy: -466.376479 where: bonds (distance) C4'-P energy: -83.660 bonds (distance) P-C4' energy: -81.574 flat angles C4'-P-C4' energy: -97.417 flat angles P-C4'-P energy: -72.300 tors. eta vs tors. theta energy: -131.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1509.108111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.108111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.108111 (E_RNA) where: Base-Base interactions energy: -1052.083 where: short stacking energy: -445.552 Base-Backbone interact. energy: -1.579 local terms energy: -455.446643 where: bonds (distance) C4'-P energy: -87.356 bonds (distance) P-C4' energy: -91.067 flat angles C4'-P-C4' energy: -92.287 flat angles P-C4'-P energy: -61.635 tors. eta vs tors. theta energy: -123.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1457.118471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.118471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.118471 (E_RNA) where: Base-Base interactions energy: -1011.521 where: short stacking energy: -440.254 Base-Backbone interact. energy: -2.906 local terms energy: -442.691722 where: bonds (distance) C4'-P energy: -68.168 bonds (distance) P-C4' energy: -90.364 flat angles C4'-P-C4' energy: -100.173 flat angles P-C4'-P energy: -60.153 tors. eta vs tors. theta energy: -123.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1333.576732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.576732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.576732 (E_RNA) where: Base-Base interactions energy: -911.228 where: short stacking energy: -394.337 Base-Backbone interact. energy: -1.110 local terms energy: -421.238240 where: bonds (distance) C4'-P energy: -87.742 bonds (distance) P-C4' energy: -83.130 flat angles C4'-P-C4' energy: -87.968 flat angles P-C4'-P energy: -63.540 tors. eta vs tors. theta energy: -98.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -1288.566864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.566864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.566864 (E_RNA) where: Base-Base interactions energy: -880.974 where: short stacking energy: -386.453 Base-Backbone interact. energy: -1.179 local terms energy: -406.413953 where: bonds (distance) C4'-P energy: -85.234 bonds (distance) P-C4' energy: -74.694 flat angles C4'-P-C4' energy: -84.935 flat angles P-C4'-P energy: -60.406 tors. eta vs tors. theta energy: -101.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1242.743160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.743160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.743160 (E_RNA) where: Base-Base interactions energy: -860.420 where: short stacking energy: -370.433 Base-Backbone interact. energy: -0.672 local terms energy: -381.651482 where: bonds (distance) C4'-P energy: -82.322 bonds (distance) P-C4' energy: -69.615 flat angles C4'-P-C4' energy: -73.308 flat angles P-C4'-P energy: -50.275 tors. eta vs tors. theta energy: -106.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1115.698003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.698003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.698003 (E_RNA) where: Base-Base interactions energy: -754.307 where: short stacking energy: -354.352 Base-Backbone interact. energy: 0.371 local terms energy: -361.761983 where: bonds (distance) C4'-P energy: -61.146 bonds (distance) P-C4' energy: -83.658 flat angles C4'-P-C4' energy: -82.113 flat angles P-C4'-P energy: -50.983 tors. eta vs tors. theta energy: -83.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1047.731389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.731389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.731389 (E_RNA) where: Base-Base interactions energy: -743.864 where: short stacking energy: -324.732 Base-Backbone interact. energy: -2.294 local terms energy: -301.573406 where: bonds (distance) C4'-P energy: -54.636 bonds (distance) P-C4' energy: -60.060 flat angles C4'-P-C4' energy: -60.915 flat angles P-C4'-P energy: -56.452 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: 9, replica: 5 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -706.951408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.951408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.951408 (E_RNA) where: Base-Base interactions energy: -433.893 where: short stacking energy: -214.675 Base-Backbone interact. energy: 0.628 local terms energy: -273.687135 where: bonds (distance) C4'-P energy: -64.873 bonds (distance) P-C4' energy: -70.249 flat angles C4'-P-C4' energy: -65.561 flat angles P-C4'-P energy: -45.747 tors. eta vs tors. theta energy: -27.258 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: 4 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -414.279877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.279877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.279877 (E_RNA) where: Base-Base interactions energy: -196.845 where: short stacking energy: -132.131 Base-Backbone interact. energy: 2.012 local terms energy: -219.446709 where: bonds (distance) C4'-P energy: -58.000 bonds (distance) P-C4' energy: -67.047 flat angles C4'-P-C4' energy: -54.596 flat angles P-C4'-P energy: -36.778 tors. eta vs tors. theta energy: -3.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1572.030286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.030286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.030286 (E_RNA) where: Base-Base interactions energy: -1102.420 where: short stacking energy: -458.925 Base-Backbone interact. energy: -1.471 local terms energy: -468.139427 where: bonds (distance) C4'-P energy: -88.870 bonds (distance) P-C4' energy: -89.830 flat angles C4'-P-C4' energy: -99.297 flat angles P-C4'-P energy: -59.544 tors. eta vs tors. theta energy: -130.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1502.166168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.166168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.166168 (E_RNA) where: Base-Base interactions energy: -1070.436 where: short stacking energy: -441.983 Base-Backbone interact. energy: 1.493 local terms energy: -433.223374 where: bonds (distance) C4'-P energy: -71.038 bonds (distance) P-C4' energy: -84.902 flat angles C4'-P-C4' energy: -90.327 flat angles P-C4'-P energy: -63.925 tors. eta vs tors. theta energy: -123.032 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: 3, replica: 2 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -1447.731467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.731467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.731467 (E_RNA) where: Base-Base interactions energy: -1023.559 where: short stacking energy: -452.443 Base-Backbone interact. energy: -1.559 local terms energy: -422.613812 where: bonds (distance) C4'-P energy: -75.277 bonds (distance) P-C4' energy: -78.716 flat angles C4'-P-C4' energy: -90.883 flat angles P-C4'-P energy: -53.804 tors. eta vs tors. theta energy: -123.934 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: 6 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1347.324077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.324077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.324077 (E_RNA) where: Base-Base interactions energy: -943.778 where: short stacking energy: -401.025 Base-Backbone interact. energy: -0.807 local terms energy: -402.738876 where: bonds (distance) C4'-P energy: -73.379 bonds (distance) P-C4' energy: -81.956 flat angles C4'-P-C4' energy: -92.572 flat angles P-C4'-P energy: -51.995 tors. eta vs tors. theta energy: -102.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1276.383373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.383373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.383373 (E_RNA) where: Base-Base interactions energy: -878.848 where: short stacking energy: -384.859 Base-Backbone interact. energy: 1.187 local terms energy: -398.722136 where: bonds (distance) C4'-P energy: -74.607 bonds (distance) P-C4' energy: -83.653 flat angles C4'-P-C4' energy: -94.123 flat angles P-C4'-P energy: -50.393 tors. eta vs tors. theta energy: -95.946 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: 10 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1253.490417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.490417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.490417 (E_RNA) where: Base-Base interactions energy: -848.023 where: short stacking energy: -360.775 Base-Backbone interact. energy: 1.477 local terms energy: -406.944807 where: bonds (distance) C4'-P energy: -81.318 bonds (distance) P-C4' energy: -89.755 flat angles C4'-P-C4' energy: -81.579 flat angles P-C4'-P energy: -54.717 tors. eta vs tors. theta energy: -99.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1101.739717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.739717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.739717 (E_RNA) where: Base-Base interactions energy: -758.891 where: short stacking energy: -312.716 Base-Backbone interact. energy: -1.532 local terms energy: -341.317057 where: bonds (distance) C4'-P energy: -58.167 bonds (distance) P-C4' energy: -79.620 flat angles C4'-P-C4' energy: -83.084 flat angles P-C4'-P energy: -42.426 tors. eta vs tors. theta energy: -78.021 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: 1 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1042.647981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.647981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.647981 (E_RNA) where: Base-Base interactions energy: -703.025 where: short stacking energy: -327.915 Base-Backbone interact. energy: -1.131 local terms energy: -338.491851 where: bonds (distance) C4'-P energy: -63.068 bonds (distance) P-C4' energy: -71.173 flat angles C4'-P-C4' energy: -78.236 flat angles P-C4'-P energy: -52.302 tors. eta vs tors. theta energy: -73.713 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: 9, replica: 5 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -745.198885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.198885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.198885 (E_RNA) where: Base-Base interactions energy: -471.656 where: short stacking energy: -197.982 Base-Backbone interact. energy: -1.663 local terms energy: -271.879742 where: bonds (distance) C4'-P energy: -51.035 bonds (distance) P-C4' energy: -84.815 flat angles C4'-P-C4' energy: -69.729 flat angles P-C4'-P energy: -44.041 tors. eta vs tors. theta energy: -22.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -467.931514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.931514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.931514 (E_RNA) where: Base-Base interactions energy: -235.350 where: short stacking energy: -133.778 Base-Backbone interact. energy: -1.186 local terms energy: -231.394976 where: bonds (distance) C4'-P energy: -70.003 bonds (distance) P-C4' energy: -86.666 flat angles C4'-P-C4' energy: -55.625 flat angles P-C4'-P energy: -26.661 tors. eta vs tors. theta energy: 7.561 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: 3 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1573.003373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.003373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.003373 (E_RNA) where: Base-Base interactions energy: -1116.728 where: short stacking energy: -474.707 Base-Backbone interact. energy: -1.167 local terms energy: -455.108025 where: bonds (distance) C4'-P energy: -75.023 bonds (distance) P-C4' energy: -88.729 flat angles C4'-P-C4' energy: -101.370 flat angles P-C4'-P energy: -59.355 tors. eta vs tors. theta energy: -130.631 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: 8 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1517.737455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.737455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.737455 (E_RNA) where: Base-Base interactions energy: -1077.767 where: short stacking energy: -458.634 Base-Backbone interact. energy: -1.540 local terms energy: -438.430443 where: bonds (distance) C4'-P energy: -84.888 bonds (distance) P-C4' energy: -73.375 flat angles C4'-P-C4' energy: -93.665 flat angles P-C4'-P energy: -53.879 tors. eta vs tors. theta energy: -132.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1440.082144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.082144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.082144 (E_RNA) where: Base-Base interactions energy: -1010.578 where: short stacking energy: -442.868 Base-Backbone interact. energy: -0.138 local terms energy: -429.366144 where: bonds (distance) C4'-P energy: -62.950 bonds (distance) P-C4' energy: -83.712 flat angles C4'-P-C4' energy: -89.215 flat angles P-C4'-P energy: -68.681 tors. eta vs tors. theta energy: -124.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1323.459052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.459052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.459052 (E_RNA) where: Base-Base interactions energy: -910.290 where: short stacking energy: -377.389 Base-Backbone interact. energy: -1.916 local terms energy: -411.253347 where: bonds (distance) C4'-P energy: -81.036 bonds (distance) P-C4' energy: -78.771 flat angles C4'-P-C4' energy: -88.393 flat angles P-C4'-P energy: -61.164 tors. eta vs tors. theta energy: -101.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -1285.455229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.455229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.455229 (E_RNA) where: Base-Base interactions energy: -886.569 where: short stacking energy: -396.468 Base-Backbone interact. energy: 8.288 local terms energy: -407.174558 where: bonds (distance) C4'-P energy: -74.926 bonds (distance) P-C4' energy: -77.496 flat angles C4'-P-C4' energy: -90.692 flat angles P-C4'-P energy: -54.548 tors. eta vs tors. theta energy: -109.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1248.796004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.796004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.796004 (E_RNA) where: Base-Base interactions energy: -873.949 where: short stacking energy: -396.454 Base-Backbone interact. energy: -1.375 local terms energy: -373.471450 where: bonds (distance) C4'-P energy: -55.097 bonds (distance) P-C4' energy: -82.772 flat angles C4'-P-C4' energy: -80.946 flat angles P-C4'-P energy: -50.629 tors. eta vs tors. theta energy: -104.028 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: 7, replica: 9 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1133.247115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.247115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.247115 (E_RNA) where: Base-Base interactions energy: -786.497 where: short stacking energy: -323.627 Base-Backbone interact. energy: 0.517 local terms energy: -347.266954 where: bonds (distance) C4'-P energy: -75.315 bonds (distance) P-C4' energy: -72.849 flat angles C4'-P-C4' energy: -73.953 flat angles P-C4'-P energy: -50.229 tors. eta vs tors. theta energy: -74.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -979.010821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.010821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.010821 (E_RNA) where: Base-Base interactions energy: -639.980 where: short stacking energy: -287.712 Base-Backbone interact. energy: -1.332 local terms energy: -337.698339 where: bonds (distance) C4'-P energy: -65.641 bonds (distance) P-C4' energy: -77.523 flat angles C4'-P-C4' energy: -74.824 flat angles P-C4'-P energy: -57.769 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: 9, replica: 5 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -764.907280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.907280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.907280 (E_RNA) where: Base-Base interactions energy: -477.435 where: short stacking energy: -223.355 Base-Backbone interact. energy: 3.273 local terms energy: -290.744848 where: bonds (distance) C4'-P energy: -66.298 bonds (distance) P-C4' energy: -81.084 flat angles C4'-P-C4' energy: -76.705 flat angles P-C4'-P energy: -31.601 tors. eta vs tors. theta energy: -35.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -463.722876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.722876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.722876 (E_RNA) where: Base-Base interactions energy: -222.526 where: short stacking energy: -136.780 Base-Backbone interact. energy: 2.915 local terms energy: -244.112465 where: bonds (distance) C4'-P energy: -66.879 bonds (distance) P-C4' energy: -71.299 flat angles C4'-P-C4' energy: -46.780 flat angles P-C4'-P energy: -48.869 tors. eta vs tors. theta energy: -10.285 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: 1, replica: 3 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1557.164477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.164477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.164477 (E_RNA) where: Base-Base interactions energy: -1105.974 where: short stacking energy: -463.453 Base-Backbone interact. energy: -1.059 local terms energy: -450.132177 where: bonds (distance) C4'-P energy: -83.815 bonds (distance) P-C4' energy: -81.817 flat angles C4'-P-C4' energy: -88.684 flat angles P-C4'-P energy: -68.530 tors. eta vs tors. theta energy: -127.286 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: 2, replica: 8 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1526.315214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.315214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.315214 (E_RNA) where: Base-Base interactions energy: -1081.703 where: short stacking energy: -465.598 Base-Backbone interact. energy: -1.179 local terms energy: -443.432562 where: bonds (distance) C4'-P energy: -73.490 bonds (distance) P-C4' energy: -83.766 flat angles C4'-P-C4' energy: -93.666 flat angles P-C4'-P energy: -60.828 tors. eta vs tors. theta energy: -131.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1437.981697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.981697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.981697 (E_RNA) where: Base-Base interactions energy: -1002.035 where: short stacking energy: -441.835 Base-Backbone interact. energy: -2.303 local terms energy: -433.644018 where: bonds (distance) C4'-P energy: -88.560 bonds (distance) P-C4' energy: -76.289 flat angles C4'-P-C4' energy: -93.132 flat angles P-C4'-P energy: -59.556 tors. eta vs tors. theta energy: -116.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1351.790355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.790355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.790355 (E_RNA) where: Base-Base interactions energy: -940.583 where: short stacking energy: -417.185 Base-Backbone interact. energy: 4.217 local terms energy: -415.424395 where: bonds (distance) C4'-P energy: -81.993 bonds (distance) P-C4' energy: -72.808 flat angles C4'-P-C4' energy: -86.497 flat angles P-C4'-P energy: -60.619 tors. eta vs tors. theta energy: -113.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -1273.432875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.432875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.432875 (E_RNA) where: Base-Base interactions energy: -878.005 where: short stacking energy: -391.699 Base-Backbone interact. energy: -1.404 local terms energy: -394.023688 where: bonds (distance) C4'-P energy: -61.552 bonds (distance) P-C4' energy: -80.768 flat angles C4'-P-C4' energy: -88.335 flat angles P-C4'-P energy: -61.342 tors. eta vs tors. theta energy: -102.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1231.832919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.832919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.832919 (E_RNA) where: Base-Base interactions energy: -834.684 where: short stacking energy: -376.751 Base-Backbone interact. energy: -0.700 local terms energy: -396.449324 where: bonds (distance) C4'-P energy: -77.761 bonds (distance) P-C4' energy: -79.802 flat angles C4'-P-C4' energy: -82.218 flat angles P-C4'-P energy: -52.069 tors. eta vs tors. theta energy: -104.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1154.536151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.536151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.536151 (E_RNA) where: Base-Base interactions energy: -816.863 where: short stacking energy: -344.434 Base-Backbone interact. energy: -1.027 local terms energy: -336.646084 where: bonds (distance) C4'-P energy: -77.653 bonds (distance) P-C4' energy: -59.898 flat angles C4'-P-C4' energy: -77.368 flat angles P-C4'-P energy: -40.156 tors. eta vs tors. theta energy: -81.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -973.959096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.959096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.959096 (E_RNA) where: Base-Base interactions energy: -614.814 where: short stacking energy: -267.361 Base-Backbone interact. energy: -1.759 local terms energy: -357.385426 where: bonds (distance) C4'-P energy: -83.886 bonds (distance) P-C4' energy: -78.342 flat angles C4'-P-C4' energy: -71.834 flat angles P-C4'-P energy: -45.529 tors. eta vs tors. theta energy: -77.794 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: 5 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -717.035480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.035480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.035480 (E_RNA) where: Base-Base interactions energy: -441.610 where: short stacking energy: -192.628 Base-Backbone interact. energy: 3.364 local terms energy: -278.788686 where: bonds (distance) C4'-P energy: -69.323 bonds (distance) P-C4' energy: -73.585 flat angles C4'-P-C4' energy: -63.939 flat angles P-C4'-P energy: -51.107 tors. eta vs tors. theta energy: -20.834 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: 4 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -418.276299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.276299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.276299 (E_RNA) where: Base-Base interactions energy: -204.336 where: short stacking energy: -143.396 Base-Backbone interact. energy: -1.514 local terms energy: -212.426186 where: bonds (distance) C4'-P energy: -65.439 bonds (distance) P-C4' energy: -64.684 flat angles C4'-P-C4' energy: -57.041 flat angles P-C4'-P energy: -34.015 tors. eta vs tors. theta energy: 8.753 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: 1, replica: 3 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1554.203939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.203939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.203939 (E_RNA) where: Base-Base interactions energy: -1108.751 where: short stacking energy: -467.334 Base-Backbone interact. energy: -2.096 local terms energy: -443.357190 where: bonds (distance) C4'-P energy: -70.648 bonds (distance) P-C4' energy: -88.628 flat angles C4'-P-C4' energy: -95.672 flat angles P-C4'-P energy: -64.632 tors. eta vs tors. theta energy: -123.778 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: 2, replica: 8 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1529.159961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.159961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.159961 (E_RNA) where: Base-Base interactions energy: -1067.120 where: short stacking energy: -472.926 Base-Backbone interact. energy: -0.473 local terms energy: -461.567343 where: bonds (distance) C4'-P energy: -76.637 bonds (distance) P-C4' energy: -83.162 flat angles C4'-P-C4' energy: -100.748 flat angles P-C4'-P energy: -71.361 tors. eta vs tors. theta energy: -129.659 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: 3, replica: 2 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1451.913392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.913392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.913392 (E_RNA) where: Base-Base interactions energy: -1002.090 where: short stacking energy: -417.748 Base-Backbone interact. energy: 0.226 local terms energy: -450.049714 where: bonds (distance) C4'-P energy: -84.294 bonds (distance) P-C4' energy: -81.286 flat angles C4'-P-C4' energy: -98.709 flat angles P-C4'-P energy: -65.079 tors. eta vs tors. theta energy: -120.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1336.973589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.973589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.973589 (E_RNA) where: Base-Base interactions energy: -962.457 where: short stacking energy: -399.196 Base-Backbone interact. energy: -2.095 local terms energy: -372.421631 where: bonds (distance) C4'-P energy: -73.051 bonds (distance) P-C4' energy: -71.409 flat angles C4'-P-C4' energy: -87.819 flat angles P-C4'-P energy: -41.110 tors. eta vs tors. theta energy: -99.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -1278.710650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.710650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.710650 (E_RNA) where: Base-Base interactions energy: -896.232 where: short stacking energy: -389.663 Base-Backbone interact. energy: -0.474 local terms energy: -382.005108 where: bonds (distance) C4'-P energy: -69.354 bonds (distance) P-C4' energy: -84.966 flat angles C4'-P-C4' energy: -75.719 flat angles P-C4'-P energy: -47.395 tors. eta vs tors. theta energy: -104.572 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: 10 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1219.005198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.005198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.005198 (E_RNA) where: Base-Base interactions energy: -861.823 where: short stacking energy: -393.436 Base-Backbone interact. energy: -3.323 local terms energy: -353.858686 where: bonds (distance) C4'-P energy: -77.427 bonds (distance) P-C4' energy: -52.777 flat angles C4'-P-C4' energy: -61.589 flat angles P-C4'-P energy: -54.502 tors. eta vs tors. theta energy: -107.563 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: 305 Temperature: 1.200000 Total energy: -1190.418630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.418630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.418630 (E_RNA) where: Base-Base interactions energy: -826.779 where: short stacking energy: -340.808 Base-Backbone interact. energy: -2.194 local terms energy: -361.444971 where: bonds (distance) C4'-P energy: -70.998 bonds (distance) P-C4' energy: -70.151 flat angles C4'-P-C4' energy: -74.021 flat angles P-C4'-P energy: -50.038 tors. eta vs tors. theta energy: -96.237 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: 1 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -900.440255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.440255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.440255 (E_RNA) where: Base-Base interactions energy: -587.108 where: short stacking energy: -258.735 Base-Backbone interact. energy: 2.510 local terms energy: -315.842189 where: bonds (distance) C4'-P energy: -63.956 bonds (distance) P-C4' energy: -75.509 flat angles C4'-P-C4' energy: -66.265 flat angles P-C4'-P energy: -53.866 tors. eta vs tors. theta energy: -56.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -691.883312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.883312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.883312 (E_RNA) where: Base-Base interactions energy: -444.630 where: short stacking energy: -222.118 Base-Backbone interact. energy: 7.190 local terms energy: -254.443584 where: bonds (distance) C4'-P energy: -74.076 bonds (distance) P-C4' energy: -60.468 flat angles C4'-P-C4' energy: -67.470 flat angles P-C4'-P energy: -27.836 tors. eta vs tors. theta energy: -24.594 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: 4 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -435.607553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.607553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.607553 (E_RNA) where: Base-Base interactions energy: -207.240 where: short stacking energy: -130.124 Base-Backbone interact. energy: -2.014 local terms energy: -226.354368 where: bonds (distance) C4'-P energy: -63.055 bonds (distance) P-C4' energy: -71.813 flat angles C4'-P-C4' energy: -63.504 flat angles P-C4'-P energy: -24.057 tors. eta vs tors. theta energy: -3.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1542.596141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.596141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.596141 (E_RNA) where: Base-Base interactions energy: -1088.048 where: short stacking energy: -461.481 Base-Backbone interact. energy: -2.483 local terms energy: -452.065011 where: bonds (distance) C4'-P energy: -84.957 bonds (distance) P-C4' energy: -82.849 flat angles C4'-P-C4' energy: -96.066 flat angles P-C4'-P energy: -64.969 tors. eta vs tors. theta energy: -123.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1517.255980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.255980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.255980 (E_RNA) where: Base-Base interactions energy: -1069.529 where: short stacking energy: -448.254 Base-Backbone interact. energy: -0.161 local terms energy: -447.565793 where: bonds (distance) C4'-P energy: -85.703 bonds (distance) P-C4' energy: -74.306 flat angles C4'-P-C4' energy: -95.115 flat angles P-C4'-P energy: -69.492 tors. eta vs tors. theta energy: -122.950 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: 2 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1452.817206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.817206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.817206 (E_RNA) where: Base-Base interactions energy: -1017.522 where: short stacking energy: -441.994 Base-Backbone interact. energy: -0.381 local terms energy: -434.914836 where: bonds (distance) C4'-P energy: -80.490 bonds (distance) P-C4' energy: -84.031 flat angles C4'-P-C4' energy: -92.068 flat angles P-C4'-P energy: -61.872 tors. eta vs tors. theta energy: -116.454 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: 4, replica: 6 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1340.836374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.836374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.836374 (E_RNA) where: Base-Base interactions energy: -944.094 where: short stacking energy: -402.207 Base-Backbone interact. energy: 0.472 local terms energy: -397.214288 where: bonds (distance) C4'-P energy: -76.971 bonds (distance) P-C4' energy: -79.886 flat angles C4'-P-C4' energy: -83.876 flat angles P-C4'-P energy: -59.332 tors. eta vs tors. theta energy: -97.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1305.242633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.242633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.242633 (E_RNA) where: Base-Base interactions energy: -896.748 where: short stacking energy: -417.503 Base-Backbone interact. energy: -0.308 local terms energy: -408.186610 where: bonds (distance) C4'-P energy: -71.883 bonds (distance) P-C4' energy: -69.710 flat angles C4'-P-C4' energy: -89.580 flat angles P-C4'-P energy: -59.113 tors. eta vs tors. theta energy: -117.900 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: 10 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1227.828476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.828476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.828476 (E_RNA) where: Base-Base interactions energy: -835.694 where: short stacking energy: -355.028 Base-Backbone interact. energy: 0.431 local terms energy: -392.565509 where: bonds (distance) C4'-P energy: -74.943 bonds (distance) P-C4' energy: -84.967 flat angles C4'-P-C4' energy: -86.599 flat angles P-C4'-P energy: -48.563 tors. eta vs tors. theta energy: -97.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1170.603596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.603596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.603596 (E_RNA) where: Base-Base interactions energy: -809.285 where: short stacking energy: -330.024 Base-Backbone interact. energy: -2.933 local terms energy: -358.385667 where: bonds (distance) C4'-P energy: -72.043 bonds (distance) P-C4' energy: -69.080 flat angles C4'-P-C4' energy: -76.934 flat angles P-C4'-P energy: -55.543 tors. eta vs tors. theta energy: -84.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -904.597191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.597191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.597191 (E_RNA) where: Base-Base interactions energy: -591.577 where: short stacking energy: -276.197 Base-Backbone interact. energy: 1.227 local terms energy: -314.246946 where: bonds (distance) C4'-P energy: -74.347 bonds (distance) P-C4' energy: -69.465 flat angles C4'-P-C4' energy: -78.515 flat angles P-C4'-P energy: -38.498 tors. eta vs tors. theta energy: -53.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -682.501114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.501114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.501114 (E_RNA) where: Base-Base interactions energy: -414.890 where: short stacking energy: -182.994 Base-Backbone interact. energy: -0.961 local terms energy: -266.649302 where: bonds (distance) C4'-P energy: -66.690 bonds (distance) P-C4' energy: -70.600 flat angles C4'-P-C4' energy: -52.266 flat angles P-C4'-P energy: -51.653 tors. eta vs tors. theta energy: -25.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -440.187090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.187090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.187090 (E_RNA) where: Base-Base interactions energy: -201.351 where: short stacking energy: -134.642 Base-Backbone interact. energy: 0.015 local terms energy: -238.850215 where: bonds (distance) C4'-P energy: -70.352 bonds (distance) P-C4' energy: -74.824 flat angles C4'-P-C4' energy: -55.542 flat angles P-C4'-P energy: -41.263 tors. eta vs tors. theta energy: 3.131 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: 3 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1540.029242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.029242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.029242 (E_RNA) where: Base-Base interactions energy: -1089.606 where: short stacking energy: -465.259 Base-Backbone interact. energy: 0.214 local terms energy: -450.637472 where: bonds (distance) C4'-P energy: -82.731 bonds (distance) P-C4' energy: -84.683 flat angles C4'-P-C4' energy: -93.849 flat angles P-C4'-P energy: -60.747 tors. eta vs tors. theta energy: -128.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1542.279659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.279659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.279659 (E_RNA) where: Base-Base interactions energy: -1092.695 where: short stacking energy: -465.079 Base-Backbone interact. energy: 0.170 local terms energy: -449.754538 where: bonds (distance) C4'-P energy: -87.516 bonds (distance) P-C4' energy: -81.455 flat angles C4'-P-C4' energy: -88.653 flat angles P-C4'-P energy: -64.406 tors. eta vs tors. theta energy: -127.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1446.853212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.853212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.853212 (E_RNA) where: Base-Base interactions energy: -1008.813 where: short stacking energy: -446.455 Base-Backbone interact. energy: -2.418 local terms energy: -435.621961 where: bonds (distance) C4'-P energy: -66.623 bonds (distance) P-C4' energy: -81.466 flat angles C4'-P-C4' energy: -93.454 flat angles P-C4'-P energy: -64.316 tors. eta vs tors. theta energy: -129.763 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: 7 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1349.189021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.189021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.189021 (E_RNA) where: Base-Base interactions energy: -932.907 where: short stacking energy: -407.007 Base-Backbone interact. energy: -1.389 local terms energy: -414.892904 where: bonds (distance) C4'-P energy: -77.154 bonds (distance) P-C4' energy: -74.662 flat angles C4'-P-C4' energy: -88.433 flat angles P-C4'-P energy: -62.055 tors. eta vs tors. theta energy: -112.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1313.693800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.693800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.693800 (E_RNA) where: Base-Base interactions energy: -934.381 where: short stacking energy: -401.743 Base-Backbone interact. energy: -1.027 local terms energy: -378.286069 where: bonds (distance) C4'-P energy: -67.535 bonds (distance) P-C4' energy: -64.869 flat angles C4'-P-C4' energy: -89.044 flat angles P-C4'-P energy: -53.878 tors. eta vs tors. theta energy: -102.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1197.780187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.780187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.780187 (E_RNA) where: Base-Base interactions energy: -837.536 where: short stacking energy: -358.031 Base-Backbone interact. energy: -4.345 local terms energy: -355.898852 where: bonds (distance) C4'-P energy: -60.123 bonds (distance) P-C4' energy: -76.277 flat angles C4'-P-C4' energy: -81.124 flat angles P-C4'-P energy: -57.273 tors. eta vs tors. theta energy: -81.102 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: 7, replica: 10 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1168.614142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.614142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.614142 (E_RNA) where: Base-Base interactions energy: -811.726 where: short stacking energy: -358.158 Base-Backbone interact. energy: 0.312 local terms energy: -357.200423 where: bonds (distance) C4'-P energy: -56.783 bonds (distance) P-C4' energy: -76.261 flat angles C4'-P-C4' energy: -78.833 flat angles P-C4'-P energy: -47.559 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: 8, replica: 1 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -887.330909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.330909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.330909 (E_RNA) where: Base-Base interactions energy: -567.745 where: short stacking energy: -256.516 Base-Backbone interact. energy: -0.067 local terms energy: -319.519304 where: bonds (distance) C4'-P energy: -78.153 bonds (distance) P-C4' energy: -74.051 flat angles C4'-P-C4' energy: -77.128 flat angles P-C4'-P energy: -44.006 tors. eta vs tors. theta energy: -46.181 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: 5 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -626.169879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.169879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.169879 (E_RNA) where: Base-Base interactions energy: -385.711 where: short stacking energy: -190.812 Base-Backbone interact. energy: 4.406 local terms energy: -244.864450 where: bonds (distance) C4'-P energy: -74.268 bonds (distance) P-C4' energy: -65.915 flat angles C4'-P-C4' energy: -63.534 flat angles P-C4'-P energy: -37.899 tors. eta vs tors. theta energy: -3.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -434.073340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.073340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.073340 (E_RNA) where: Base-Base interactions energy: -190.841 where: short stacking energy: -137.883 Base-Backbone interact. energy: 0.619 local terms energy: -243.852179 where: bonds (distance) C4'-P energy: -79.255 bonds (distance) P-C4' energy: -65.713 flat angles C4'-P-C4' energy: -65.678 flat angles P-C4'-P energy: -35.371 tors. eta vs tors. theta energy: 2.164 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: 3 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1553.058681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.058681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.058681 (E_RNA) where: Base-Base interactions energy: -1092.475 where: short stacking energy: -452.063 Base-Backbone interact. energy: 0.676 local terms energy: -461.259765 where: bonds (distance) C4'-P energy: -85.289 bonds (distance) P-C4' energy: -80.769 flat angles C4'-P-C4' energy: -106.524 flat angles P-C4'-P energy: -62.442 tors. eta vs tors. theta energy: -126.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1531.562784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.562784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.562784 (E_RNA) where: Base-Base interactions energy: -1062.086 where: short stacking energy: -439.309 Base-Backbone interact. energy: -1.443 local terms energy: -468.034404 where: bonds (distance) C4'-P energy: -95.596 bonds (distance) P-C4' energy: -79.964 flat angles C4'-P-C4' energy: -100.406 flat angles P-C4'-P energy: -63.564 tors. eta vs tors. theta energy: -128.504 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: 2 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1476.485110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.485110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.485110 (E_RNA) where: Base-Base interactions energy: -1019.470 where: short stacking energy: -457.831 Base-Backbone interact. energy: -0.638 local terms energy: -456.377468 where: bonds (distance) C4'-P energy: -83.019 bonds (distance) P-C4' energy: -86.105 flat angles C4'-P-C4' energy: -89.299 flat angles P-C4'-P energy: -63.478 tors. eta vs tors. theta energy: -134.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1328.152862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.152862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.152862 (E_RNA) where: Base-Base interactions energy: -901.574 where: short stacking energy: -391.408 Base-Backbone interact. energy: -2.339 local terms energy: -424.240425 where: bonds (distance) C4'-P energy: -68.098 bonds (distance) P-C4' energy: -90.781 flat angles C4'-P-C4' energy: -97.153 flat angles P-C4'-P energy: -59.719 tors. eta vs tors. theta energy: -108.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -1325.736956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.736956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.736956 (E_RNA) where: Base-Base interactions energy: -929.831 where: short stacking energy: -421.051 Base-Backbone interact. energy: -0.084 local terms energy: -395.822364 where: bonds (distance) C4'-P energy: -68.475 bonds (distance) P-C4' energy: -78.063 flat angles C4'-P-C4' energy: -98.199 flat angles P-C4'-P energy: -41.319 tors. eta vs tors. theta energy: -109.767 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: 9 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1232.080922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.080922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.080922 (E_RNA) where: Base-Base interactions energy: -872.875 where: short stacking energy: -358.555 Base-Backbone interact. energy: -0.943 local terms energy: -358.262452 where: bonds (distance) C4'-P energy: -67.421 bonds (distance) P-C4' energy: -69.261 flat angles C4'-P-C4' energy: -76.308 flat angles P-C4'-P energy: -50.982 tors. eta vs tors. theta energy: -94.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1110.047689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.047689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.047689 (E_RNA) where: Base-Base interactions energy: -765.861 where: short stacking energy: -331.901 Base-Backbone interact. energy: -1.071 local terms energy: -343.115119 where: bonds (distance) C4'-P energy: -70.369 bonds (distance) P-C4' energy: -73.755 flat angles C4'-P-C4' energy: -78.001 flat angles P-C4'-P energy: -39.470 tors. eta vs tors. theta energy: -81.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -880.765554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.765554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.765554 (E_RNA) where: Base-Base interactions energy: -576.386 where: short stacking energy: -242.237 Base-Backbone interact. energy: 0.784 local terms energy: -305.163333 where: bonds (distance) C4'-P energy: -67.630 bonds (distance) P-C4' energy: -70.188 flat angles C4'-P-C4' energy: -74.114 flat angles P-C4'-P energy: -43.257 tors. eta vs tors. theta energy: -49.974 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: 5 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -659.431227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.431227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.431227 (E_RNA) where: Base-Base interactions energy: -365.018 where: short stacking energy: -202.499 Base-Backbone interact. energy: -1.607 local terms energy: -292.806343 where: bonds (distance) C4'-P energy: -67.534 bonds (distance) P-C4' energy: -78.453 flat angles C4'-P-C4' energy: -75.259 flat angles P-C4'-P energy: -32.203 tors. eta vs tors. theta energy: -39.358 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: 4 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -432.118759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.118759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.118759 (E_RNA) where: Base-Base interactions energy: -208.510 where: short stacking energy: -121.181 Base-Backbone interact. energy: -3.739 local terms energy: -219.869347 where: bonds (distance) C4'-P energy: -74.244 bonds (distance) P-C4' energy: -67.807 flat angles C4'-P-C4' energy: -56.416 flat angles P-C4'-P energy: -31.684 tors. eta vs tors. theta energy: 10.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1533.932453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.932453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.932453 (E_RNA) where: Base-Base interactions energy: -1080.385 where: short stacking energy: -442.229 Base-Backbone interact. energy: 0.686 local terms energy: -454.233355 where: bonds (distance) C4'-P energy: -86.659 bonds (distance) P-C4' energy: -90.605 flat angles C4'-P-C4' energy: -95.489 flat angles P-C4'-P energy: -55.954 tors. eta vs tors. theta energy: -125.527 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: 8 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1513.899255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.899255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.899255 (E_RNA) where: Base-Base interactions energy: -1073.609 where: short stacking energy: -446.053 Base-Backbone interact. energy: -3.684 local terms energy: -436.605825 where: bonds (distance) C4'-P energy: -74.335 bonds (distance) P-C4' energy: -85.206 flat angles C4'-P-C4' energy: -90.446 flat angles P-C4'-P energy: -60.928 tors. eta vs tors. theta energy: -125.691 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: 2 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1469.450659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.450659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.450659 (E_RNA) where: Base-Base interactions energy: -1004.450 where: short stacking energy: -432.802 Base-Backbone interact. energy: -2.390 local terms energy: -462.611180 where: bonds (distance) C4'-P energy: -85.298 bonds (distance) P-C4' energy: -83.859 flat angles C4'-P-C4' energy: -98.705 flat angles P-C4'-P energy: -69.025 tors. eta vs tors. theta energy: -125.724 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: 7 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1340.364039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.364039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.364039 (E_RNA) where: Base-Base interactions energy: -916.225 where: short stacking energy: -411.102 Base-Backbone interact. energy: -2.280 local terms energy: -421.858941 where: bonds (distance) C4'-P energy: -70.727 bonds (distance) P-C4' energy: -81.780 flat angles C4'-P-C4' energy: -90.320 flat angles P-C4'-P energy: -61.298 tors. eta vs tors. theta energy: -117.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -1316.654285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.654285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.654285 (E_RNA) where: Base-Base interactions energy: -913.891 where: short stacking energy: -378.350 Base-Backbone interact. energy: -0.987 local terms energy: -401.776069 where: bonds (distance) C4'-P energy: -84.226 bonds (distance) P-C4' energy: -81.919 flat angles C4'-P-C4' energy: -85.114 flat angles P-C4'-P energy: -48.347 tors. eta vs tors. theta energy: -102.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1275.243028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.243028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.243028 (E_RNA) where: Base-Base interactions energy: -895.699 where: short stacking energy: -373.641 Base-Backbone interact. energy: -1.037 local terms energy: -378.507405 where: bonds (distance) C4'-P energy: -56.060 bonds (distance) P-C4' energy: -80.844 flat angles C4'-P-C4' energy: -84.662 flat angles P-C4'-P energy: -47.174 tors. eta vs tors. theta energy: -109.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1111.804021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.804021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.804021 (E_RNA) where: Base-Base interactions energy: -751.870 where: short stacking energy: -320.906 Base-Backbone interact. energy: 1.034 local terms energy: -360.967488 where: bonds (distance) C4'-P energy: -62.051 bonds (distance) P-C4' energy: -79.719 flat angles C4'-P-C4' energy: -79.845 flat angles P-C4'-P energy: -50.421 tors. eta vs tors. theta energy: -88.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -955.017427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.017427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.017427 (E_RNA) where: Base-Base interactions energy: -632.317 where: short stacking energy: -281.313 Base-Backbone interact. energy: -0.320 local terms energy: -322.380128 where: bonds (distance) C4'-P energy: -84.006 bonds (distance) P-C4' energy: -70.315 flat angles C4'-P-C4' energy: -67.043 flat angles P-C4'-P energy: -41.400 tors. eta vs tors. theta energy: -59.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -672.084030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.084030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.084030 (E_RNA) where: Base-Base interactions energy: -409.388 where: short stacking energy: -199.977 Base-Backbone interact. energy: -1.430 local terms energy: -261.266682 where: bonds (distance) C4'-P energy: -58.558 bonds (distance) P-C4' energy: -76.212 flat angles C4'-P-C4' energy: -60.283 flat angles P-C4'-P energy: -35.423 tors. eta vs tors. theta energy: -30.790 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: 4 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -419.379942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.379942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.379942 (E_RNA) where: Base-Base interactions energy: -210.884 where: short stacking energy: -122.056 Base-Backbone interact. energy: 0.847 local terms energy: -209.343249 where: bonds (distance) C4'-P energy: -66.845 bonds (distance) P-C4' energy: -60.105 flat angles C4'-P-C4' energy: -44.648 flat angles P-C4'-P energy: -42.740 tors. eta vs tors. theta energy: 4.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1551.516929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.516929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.516929 (E_RNA) where: Base-Base interactions energy: -1084.878 where: short stacking energy: -446.550 Base-Backbone interact. energy: -2.346 local terms energy: -464.293126 where: bonds (distance) C4'-P energy: -94.112 bonds (distance) P-C4' energy: -78.941 flat angles C4'-P-C4' energy: -92.340 flat angles P-C4'-P energy: -69.032 tors. eta vs tors. theta energy: -129.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1519.018193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.018193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.018193 (E_RNA) where: Base-Base interactions energy: -1070.444 where: short stacking energy: -463.756 Base-Backbone interact. energy: -2.899 local terms energy: -445.674783 where: bonds (distance) C4'-P energy: -79.060 bonds (distance) P-C4' energy: -64.176 flat angles C4'-P-C4' energy: -103.208 flat angles P-C4'-P energy: -74.851 tors. eta vs tors. theta energy: -124.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1473.187613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.187613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.187613 (E_RNA) where: Base-Base interactions energy: -1030.495 where: short stacking energy: -451.969 Base-Backbone interact. energy: -1.124 local terms energy: -441.567941 where: bonds (distance) C4'-P energy: -80.104 bonds (distance) P-C4' energy: -78.386 flat angles C4'-P-C4' energy: -93.396 flat angles P-C4'-P energy: -57.793 tors. eta vs tors. theta energy: -131.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1333.764023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.764023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.764023 (E_RNA) where: Base-Base interactions energy: -911.100 where: short stacking energy: -411.220 Base-Backbone interact. energy: 0.405 local terms energy: -423.068753 where: bonds (distance) C4'-P energy: -91.877 bonds (distance) P-C4' energy: -81.976 flat angles C4'-P-C4' energy: -86.783 flat angles P-C4'-P energy: -45.090 tors. eta vs tors. theta energy: -117.344 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: 6 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -1325.585786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.585786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.585786 (E_RNA) where: Base-Base interactions energy: -921.916 where: short stacking energy: -393.710 Base-Backbone interact. energy: 1.549 local terms energy: -405.218691 where: bonds (distance) C4'-P energy: -70.314 bonds (distance) P-C4' energy: -87.674 flat angles C4'-P-C4' energy: -80.692 flat angles P-C4'-P energy: -52.485 tors. eta vs tors. theta energy: -114.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1269.685478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.685478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.685478 (E_RNA) where: Base-Base interactions energy: -878.700 where: short stacking energy: -365.463 Base-Backbone interact. energy: -1.011 local terms energy: -389.974005 where: bonds (distance) C4'-P energy: -77.655 bonds (distance) P-C4' energy: -80.974 flat angles C4'-P-C4' energy: -85.205 flat angles P-C4'-P energy: -46.890 tors. eta vs tors. theta energy: -99.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1088.747339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.747339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.747339 (E_RNA) where: Base-Base interactions energy: -715.909 where: short stacking energy: -329.841 Base-Backbone interact. energy: -0.948 local terms energy: -371.889980 where: bonds (distance) C4'-P energy: -73.665 bonds (distance) P-C4' energy: -70.409 flat angles C4'-P-C4' energy: -86.316 flat angles P-C4'-P energy: -60.950 tors. eta vs tors. theta energy: -80.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -964.301865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.301865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.301865 (E_RNA) where: Base-Base interactions energy: -661.781 where: short stacking energy: -304.806 Base-Backbone interact. energy: 0.249 local terms energy: -302.770246 where: bonds (distance) C4'-P energy: -65.338 bonds (distance) P-C4' energy: -53.464 flat angles C4'-P-C4' energy: -76.985 flat angles P-C4'-P energy: -41.031 tors. eta vs tors. theta energy: -65.952 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: 9, replica: 5 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -696.324346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.324346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.324346 (E_RNA) where: Base-Base interactions energy: -421.136 where: short stacking energy: -189.825 Base-Backbone interact. energy: -1.095 local terms energy: -274.093392 where: bonds (distance) C4'-P energy: -68.495 bonds (distance) P-C4' energy: -68.887 flat angles C4'-P-C4' energy: -73.616 flat angles P-C4'-P energy: -44.429 tors. eta vs tors. theta energy: -18.666 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: 4 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -415.492873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.492873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.492873 (E_RNA) where: Base-Base interactions energy: -200.867 where: short stacking energy: -142.543 Base-Backbone interact. energy: 0.833 local terms energy: -215.458971 where: bonds (distance) C4'-P energy: -69.410 bonds (distance) P-C4' energy: -65.937 flat angles C4'-P-C4' energy: -53.165 flat angles P-C4'-P energy: -29.649 tors. eta vs tors. theta energy: 2.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1555.799692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.799692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.799692 (E_RNA) where: Base-Base interactions energy: -1090.921 where: short stacking energy: -444.805 Base-Backbone interact. energy: -1.762 local terms energy: -463.116776 where: bonds (distance) C4'-P energy: -85.471 bonds (distance) P-C4' energy: -85.861 flat angles C4'-P-C4' energy: -92.353 flat angles P-C4'-P energy: -71.726 tors. eta vs tors. theta energy: -127.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1508.192179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.192179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.192179 (E_RNA) where: Base-Base interactions energy: -1060.114 where: short stacking energy: -445.438 Base-Backbone interact. energy: -0.992 local terms energy: -447.086728 where: bonds (distance) C4'-P energy: -80.784 bonds (distance) P-C4' energy: -91.467 flat angles C4'-P-C4' energy: -99.437 flat angles P-C4'-P energy: -51.274 tors. eta vs tors. theta energy: -124.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1479.505213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.505213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.505213 (E_RNA) where: Base-Base interactions energy: -1043.664 where: short stacking energy: -459.308 Base-Backbone interact. energy: -1.910 local terms energy: -433.930732 where: bonds (distance) C4'-P energy: -70.707 bonds (distance) P-C4' energy: -82.588 flat angles C4'-P-C4' energy: -98.195 flat angles P-C4'-P energy: -53.698 tors. eta vs tors. theta energy: -128.743 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: 7 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1341.225446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.225446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.225446 (E_RNA) where: Base-Base interactions energy: -938.292 where: short stacking energy: -406.206 Base-Backbone interact. energy: -2.338 local terms energy: -400.594954 where: bonds (distance) C4'-P energy: -80.067 bonds (distance) P-C4' energy: -87.495 flat angles C4'-P-C4' energy: -83.797 flat angles P-C4'-P energy: -50.643 tors. eta vs tors. theta energy: -98.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -1339.631109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.631109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.631109 (E_RNA) where: Base-Base interactions energy: -955.686 where: short stacking energy: -402.201 Base-Backbone interact. energy: -0.799 local terms energy: -383.145895 where: bonds (distance) C4'-P energy: -73.665 bonds (distance) P-C4' energy: -69.620 flat angles C4'-P-C4' energy: -88.169 flat angles P-C4'-P energy: -50.992 tors. eta vs tors. theta energy: -100.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1253.898695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.898695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.898695 (E_RNA) where: Base-Base interactions energy: -856.238 where: short stacking energy: -376.471 Base-Backbone interact. energy: 0.738 local terms energy: -398.398590 where: bonds (distance) C4'-P energy: -69.161 bonds (distance) P-C4' energy: -78.848 flat angles C4'-P-C4' energy: -75.689 flat angles P-C4'-P energy: -66.155 tors. eta vs tors. theta energy: -108.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1042.084127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.084127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.084127 (E_RNA) where: Base-Base interactions energy: -670.428 where: short stacking energy: -306.779 Base-Backbone interact. energy: -1.226 local terms energy: -370.429935 where: bonds (distance) C4'-P energy: -78.208 bonds (distance) P-C4' energy: -72.706 flat angles C4'-P-C4' energy: -82.254 flat angles P-C4'-P energy: -53.415 tors. eta vs tors. theta energy: -83.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -968.696317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.696317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.696317 (E_RNA) where: Base-Base interactions energy: -653.831 where: short stacking energy: -294.490 Base-Backbone interact. energy: -0.538 local terms energy: -314.327303 where: bonds (distance) C4'-P energy: -58.012 bonds (distance) P-C4' energy: -69.087 flat angles C4'-P-C4' energy: -73.965 flat angles P-C4'-P energy: -54.326 tors. eta vs tors. theta energy: -58.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -696.700454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.700454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.700454 (E_RNA) where: Base-Base interactions energy: -407.953 where: short stacking energy: -184.628 Base-Backbone interact. energy: 0.243 local terms energy: -288.990390 where: bonds (distance) C4'-P energy: -67.159 bonds (distance) P-C4' energy: -80.089 flat angles C4'-P-C4' energy: -71.753 flat angles P-C4'-P energy: -47.229 tors. eta vs tors. theta energy: -22.761 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: 4 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -392.140894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.140894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.140894 (E_RNA) where: Base-Base interactions energy: -162.163 where: short stacking energy: -125.020 Base-Backbone interact. energy: -0.747 local terms energy: -229.231625 where: bonds (distance) C4'-P energy: -61.702 bonds (distance) P-C4' energy: -67.978 flat angles C4'-P-C4' energy: -65.169 flat angles P-C4'-P energy: -41.338 tors. eta vs tors. theta energy: 6.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1533.686481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.686481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.686481 (E_RNA) where: Base-Base interactions energy: -1098.745 where: short stacking energy: -477.790 Base-Backbone interact. energy: -2.342 local terms energy: -432.599854 where: bonds (distance) C4'-P energy: -77.580 bonds (distance) P-C4' energy: -84.497 flat angles C4'-P-C4' energy: -92.693 flat angles P-C4'-P energy: -54.091 tors. eta vs tors. theta energy: -123.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1534.556307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.556307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.556307 (E_RNA) where: Base-Base interactions energy: -1092.379 where: short stacking energy: -455.393 Base-Backbone interact. energy: -1.229 local terms energy: -440.949070 where: bonds (distance) C4'-P energy: -66.008 bonds (distance) P-C4' energy: -88.580 flat angles C4'-P-C4' energy: -90.141 flat angles P-C4'-P energy: -70.658 tors. eta vs tors. theta energy: -125.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1485.667838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.667838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.667838 (E_RNA) where: Base-Base interactions energy: -1028.241 where: short stacking energy: -433.804 Base-Backbone interact. energy: -0.808 local terms energy: -456.619509 where: bonds (distance) C4'-P energy: -83.200 bonds (distance) P-C4' energy: -81.996 flat angles C4'-P-C4' energy: -102.957 flat angles P-C4'-P energy: -60.053 tors. eta vs tors. theta energy: -128.414 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: 4, replica: 7 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1338.017144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.017144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.017144 (E_RNA) where: Base-Base interactions energy: -918.038 where: short stacking energy: -410.227 Base-Backbone interact. energy: -0.779 local terms energy: -419.200287 where: bonds (distance) C4'-P energy: -86.160 bonds (distance) P-C4' energy: -89.105 flat angles C4'-P-C4' energy: -78.250 flat angles P-C4'-P energy: -54.409 tors. eta vs tors. theta energy: -111.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1322.510146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.510146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.510146 (E_RNA) where: Base-Base interactions energy: -925.547 where: short stacking energy: -396.244 Base-Backbone interact. energy: -0.973 local terms energy: -395.989229 where: bonds (distance) C4'-P energy: -62.524 bonds (distance) P-C4' energy: -77.477 flat angles C4'-P-C4' energy: -79.639 flat angles P-C4'-P energy: -62.651 tors. eta vs tors. theta energy: -113.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -1230.811577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.811577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.811577 (E_RNA) where: Base-Base interactions energy: -844.692 where: short stacking energy: -368.575 Base-Backbone interact. energy: -0.773 local terms energy: -385.346570 where: bonds (distance) C4'-P energy: -74.275 bonds (distance) P-C4' energy: -72.477 flat angles C4'-P-C4' energy: -81.412 flat angles P-C4'-P energy: -61.179 tors. eta vs tors. theta energy: -96.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -991.272484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.272484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.272484 (E_RNA) where: Base-Base interactions energy: -651.892 where: short stacking energy: -283.366 Base-Backbone interact. energy: 0.458 local terms energy: -339.838277 where: bonds (distance) C4'-P energy: -70.078 bonds (distance) P-C4' energy: -80.475 flat angles C4'-P-C4' energy: -75.294 flat angles P-C4'-P energy: -48.636 tors. eta vs tors. theta energy: -65.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -970.495186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.495186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.495186 (E_RNA) where: Base-Base interactions energy: -642.978 where: short stacking energy: -286.152 Base-Backbone interact. energy: 3.839 local terms energy: -331.356417 where: bonds (distance) C4'-P energy: -57.123 bonds (distance) P-C4' energy: -76.515 flat angles C4'-P-C4' energy: -73.737 flat angles P-C4'-P energy: -56.510 tors. eta vs tors. theta energy: -67.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -743.811720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.811720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.811720 (E_RNA) where: Base-Base interactions energy: -459.775 where: short stacking energy: -242.457 Base-Backbone interact. energy: 0.006 local terms energy: -284.042451 where: bonds (distance) C4'-P energy: -51.153 bonds (distance) P-C4' energy: -72.202 flat angles C4'-P-C4' energy: -66.277 flat angles P-C4'-P energy: -44.941 tors. eta vs tors. theta energy: -49.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -414.762468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.762468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.762468 (E_RNA) where: Base-Base interactions energy: -180.995 where: short stacking energy: -113.257 Base-Backbone interact. energy: 2.654 local terms energy: -236.421497 where: bonds (distance) C4'-P energy: -66.241 bonds (distance) P-C4' energy: -72.015 flat angles C4'-P-C4' energy: -59.688 flat angles P-C4'-P energy: -38.661 tors. eta vs tors. theta energy: 0.183 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: 8 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1552.473660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.473660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.473660 (E_RNA) where: Base-Base interactions energy: -1093.433 where: short stacking energy: -458.455 Base-Backbone interact. energy: -0.601 local terms energy: -458.439006 where: bonds (distance) C4'-P energy: -80.716 bonds (distance) P-C4' energy: -87.408 flat angles C4'-P-C4' energy: -100.079 flat angles P-C4'-P energy: -70.446 tors. eta vs tors. theta energy: -119.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1546.491331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.491331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.491331 (E_RNA) where: Base-Base interactions energy: -1101.441 where: short stacking energy: -449.838 Base-Backbone interact. energy: -1.123 local terms energy: -443.927417 where: bonds (distance) C4'-P energy: -92.439 bonds (distance) P-C4' energy: -75.853 flat angles C4'-P-C4' energy: -93.980 flat angles P-C4'-P energy: -59.682 tors. eta vs tors. theta energy: -121.972 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: 2 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1471.809418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.809418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.809418 (E_RNA) where: Base-Base interactions energy: -1014.639 where: short stacking energy: -453.335 Base-Backbone interact. energy: -0.730 local terms energy: -456.440248 where: bonds (distance) C4'-P energy: -84.676 bonds (distance) P-C4' energy: -83.183 flat angles C4'-P-C4' energy: -93.193 flat angles P-C4'-P energy: -68.513 tors. eta vs tors. theta energy: -126.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1361.235795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.235795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.235795 (E_RNA) where: Base-Base interactions energy: -958.202 where: short stacking energy: -420.327 Base-Backbone interact. energy: -1.052 local terms energy: -401.981427 where: bonds (distance) C4'-P energy: -70.856 bonds (distance) P-C4' energy: -73.261 flat angles C4'-P-C4' energy: -77.295 flat angles P-C4'-P energy: -69.958 tors. eta vs tors. theta energy: -110.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -1316.486591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.486591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.486591 (E_RNA) where: Base-Base interactions energy: -923.001 where: short stacking energy: -392.417 Base-Backbone interact. energy: 0.571 local terms energy: -394.057541 where: bonds (distance) C4'-P energy: -70.066 bonds (distance) P-C4' energy: -70.079 flat angles C4'-P-C4' energy: -87.609 flat angles P-C4'-P energy: -59.439 tors. eta vs tors. theta energy: -106.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1238.922792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.922792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.922792 (E_RNA) where: Base-Base interactions energy: -883.693 where: short stacking energy: -389.234 Base-Backbone interact. energy: 3.464 local terms energy: -358.692995 where: bonds (distance) C4'-P energy: -88.088 bonds (distance) P-C4' energy: -67.726 flat angles C4'-P-C4' energy: -70.693 flat angles P-C4'-P energy: -37.021 tors. eta vs tors. theta energy: -95.165 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: 7, replica: 1 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1025.437250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.437250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.437250 (E_RNA) where: Base-Base interactions energy: -677.150 where: short stacking energy: -299.389 Base-Backbone interact. energy: -2.425 local terms energy: -345.862009 where: bonds (distance) C4'-P energy: -73.599 bonds (distance) P-C4' energy: -71.691 flat angles C4'-P-C4' energy: -80.448 flat angles P-C4'-P energy: -54.914 tors. eta vs tors. theta energy: -65.211 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: 10 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -973.286208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.286208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.286208 (E_RNA) where: Base-Base interactions energy: -615.815 where: short stacking energy: -288.728 Base-Backbone interact. energy: 3.568 local terms energy: -361.039211 where: bonds (distance) C4'-P energy: -76.646 bonds (distance) P-C4' energy: -77.147 flat angles C4'-P-C4' energy: -82.691 flat angles P-C4'-P energy: -54.488 tors. eta vs tors. theta energy: -70.066 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: 5 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -666.584044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.584044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.584044 (E_RNA) where: Base-Base interactions energy: -392.024 where: short stacking energy: -179.593 Base-Backbone interact. energy: -0.893 local terms energy: -273.666800 where: bonds (distance) C4'-P energy: -79.671 bonds (distance) P-C4' energy: -55.598 flat angles C4'-P-C4' energy: -53.095 flat angles P-C4'-P energy: -58.060 tors. eta vs tors. theta energy: -27.242 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: 4 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -402.830728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.830728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.830728 (E_RNA) where: Base-Base interactions energy: -170.636 where: short stacking energy: -115.961 Base-Backbone interact. energy: -0.765 local terms energy: -231.429679 where: bonds (distance) C4'-P energy: -71.086 bonds (distance) P-C4' energy: -65.892 flat angles C4'-P-C4' energy: -59.990 flat angles P-C4'-P energy: -37.589 tors. eta vs tors. theta energy: 3.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1575.708328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.708328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.708328 (E_RNA) where: Base-Base interactions energy: -1114.883 where: short stacking energy: -457.140 Base-Backbone interact. energy: -2.719 local terms energy: -458.106374 where: bonds (distance) C4'-P energy: -83.431 bonds (distance) P-C4' energy: -88.506 flat angles C4'-P-C4' energy: -97.552 flat angles P-C4'-P energy: -62.024 tors. eta vs tors. theta energy: -126.593 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: 8 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1503.657919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.657919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.657919 (E_RNA) where: Base-Base interactions energy: -1069.549 where: short stacking energy: -434.276 Base-Backbone interact. energy: 1.706 local terms energy: -435.814573 where: bonds (distance) C4'-P energy: -88.040 bonds (distance) P-C4' energy: -74.693 flat angles C4'-P-C4' energy: -89.690 flat angles P-C4'-P energy: -63.921 tors. eta vs tors. theta energy: -119.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1483.214421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.214421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.214421 (E_RNA) where: Base-Base interactions energy: -1022.741 where: short stacking energy: -436.292 Base-Backbone interact. energy: -2.499 local terms energy: -457.975049 where: bonds (distance) C4'-P energy: -73.993 bonds (distance) P-C4' energy: -91.295 flat angles C4'-P-C4' energy: -101.532 flat angles P-C4'-P energy: -67.912 tors. eta vs tors. theta energy: -123.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1345.420436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.420436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.420436 (E_RNA) where: Base-Base interactions energy: -929.682 where: short stacking energy: -406.427 Base-Backbone interact. energy: -0.366 local terms energy: -415.372096 where: bonds (distance) C4'-P energy: -83.801 bonds (distance) P-C4' energy: -73.405 flat angles C4'-P-C4' energy: -87.022 flat angles P-C4'-P energy: -56.701 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: 5, replica: 9 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -1278.058225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.058225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.058225 (E_RNA) where: Base-Base interactions energy: -876.955 where: short stacking energy: -368.482 Base-Backbone interact. energy: -0.882 local terms energy: -400.221207 where: bonds (distance) C4'-P energy: -78.087 bonds (distance) P-C4' energy: -81.600 flat angles C4'-P-C4' energy: -87.122 flat angles P-C4'-P energy: -49.759 tors. eta vs tors. theta energy: -103.653 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: 314 Temperature: 1.150000 Total energy: -1257.393995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.393995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.393995 (E_RNA) where: Base-Base interactions energy: -849.596 where: short stacking energy: -386.382 Base-Backbone interact. energy: 0.722 local terms energy: -408.519909 where: bonds (distance) C4'-P energy: -70.675 bonds (distance) P-C4' energy: -73.754 flat angles C4'-P-C4' energy: -92.779 flat angles P-C4'-P energy: -54.614 tors. eta vs tors. theta energy: -116.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1032.211842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.211842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.211842 (E_RNA) where: Base-Base interactions energy: -712.522 where: short stacking energy: -324.121 Base-Backbone interact. energy: 2.225 local terms energy: -321.914373 where: bonds (distance) C4'-P energy: -65.726 bonds (distance) P-C4' energy: -74.038 flat angles C4'-P-C4' energy: -73.402 flat angles P-C4'-P energy: -49.227 tors. eta vs tors. theta energy: -59.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -953.196420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.196420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.196420 (E_RNA) where: Base-Base interactions energy: -608.399 where: short stacking energy: -271.062 Base-Backbone interact. energy: -2.459 local terms energy: -342.338585 where: bonds (distance) C4'-P energy: -63.471 bonds (distance) P-C4' energy: -81.099 flat angles C4'-P-C4' energy: -76.445 flat angles P-C4'-P energy: -60.326 tors. eta vs tors. theta energy: -60.997 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: 5 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -628.950465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.950465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.950465 (E_RNA) where: Base-Base interactions energy: -366.822 where: short stacking energy: -212.156 Base-Backbone interact. energy: -2.750 local terms energy: -259.378877 where: bonds (distance) C4'-P energy: -71.586 bonds (distance) P-C4' energy: -58.265 flat angles C4'-P-C4' energy: -67.453 flat angles P-C4'-P energy: -43.058 tors. eta vs tors. theta energy: -19.018 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: 4 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -479.512841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.512841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.512841 (E_RNA) where: Base-Base interactions energy: -263.750 where: short stacking energy: -155.928 Base-Backbone interact. energy: 1.352 local terms energy: -217.114770 where: bonds (distance) C4'-P energy: -64.104 bonds (distance) P-C4' energy: -63.990 flat angles C4'-P-C4' energy: -59.619 flat angles P-C4'-P energy: -29.798 tors. eta vs tors. theta energy: 0.395 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: 3 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1588.972397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.972397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.972397 (E_RNA) where: Base-Base interactions energy: -1129.089 where: short stacking energy: -453.578 Base-Backbone interact. energy: -1.674 local terms energy: -458.208707 where: bonds (distance) C4'-P energy: -81.607 bonds (distance) P-C4' energy: -88.721 flat angles C4'-P-C4' energy: -92.797 flat angles P-C4'-P energy: -68.506 tors. eta vs tors. theta energy: -126.577 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: 8 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1507.682942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.682942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.682942 (E_RNA) where: Base-Base interactions energy: -1075.948 where: short stacking energy: -432.227 Base-Backbone interact. energy: 0.077 local terms energy: -431.811560 where: bonds (distance) C4'-P energy: -70.789 bonds (distance) P-C4' energy: -75.612 flat angles C4'-P-C4' energy: -100.640 flat angles P-C4'-P energy: -63.570 tors. eta vs tors. theta energy: -121.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1471.863710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.863710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.863710 (E_RNA) where: Base-Base interactions energy: -1042.929 where: short stacking energy: -445.573 Base-Backbone interact. energy: -1.475 local terms energy: -427.460228 where: bonds (distance) C4'-P energy: -74.494 bonds (distance) P-C4' energy: -73.563 flat angles C4'-P-C4' energy: -91.867 flat angles P-C4'-P energy: -62.260 tors. eta vs tors. theta energy: -125.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1358.939261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.939261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.939261 (E_RNA) where: Base-Base interactions energy: -926.637 where: short stacking energy: -418.180 Base-Backbone interact. energy: -3.207 local terms energy: -429.094997 where: bonds (distance) C4'-P energy: -82.053 bonds (distance) P-C4' energy: -77.201 flat angles C4'-P-C4' energy: -98.918 flat angles P-C4'-P energy: -60.018 tors. eta vs tors. theta energy: -110.905 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: 6 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -1324.215283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.215283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.215283 (E_RNA) where: Base-Base interactions energy: -920.680 where: short stacking energy: -382.078 Base-Backbone interact. energy: -3.100 local terms energy: -400.434827 where: bonds (distance) C4'-P energy: -73.529 bonds (distance) P-C4' energy: -85.398 flat angles C4'-P-C4' energy: -83.496 flat angles P-C4'-P energy: -50.557 tors. eta vs tors. theta energy: -107.455 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: 7 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1282.191040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.191040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.191040 (E_RNA) where: Base-Base interactions energy: -889.526 where: short stacking energy: -389.658 Base-Backbone interact. energy: 2.031 local terms energy: -394.696476 where: bonds (distance) C4'-P energy: -65.882 bonds (distance) P-C4' energy: -75.482 flat angles C4'-P-C4' energy: -78.716 flat angles P-C4'-P energy: -64.554 tors. eta vs tors. theta energy: -110.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1050.455709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.455709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.455709 (E_RNA) where: Base-Base interactions energy: -729.355 where: short stacking energy: -313.953 Base-Backbone interact. energy: 2.897 local terms energy: -323.997309 where: bonds (distance) C4'-P energy: -74.801 bonds (distance) P-C4' energy: -70.020 flat angles C4'-P-C4' energy: -76.692 flat angles P-C4'-P energy: -39.587 tors. eta vs tors. theta energy: -62.898 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: 10 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -911.175672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.175672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.175672 (E_RNA) where: Base-Base interactions energy: -570.556 where: short stacking energy: -270.356 Base-Backbone interact. energy: -0.329 local terms energy: -340.291118 where: bonds (distance) C4'-P energy: -64.090 bonds (distance) P-C4' energy: -82.076 flat angles C4'-P-C4' energy: -80.088 flat angles P-C4'-P energy: -48.136 tors. eta vs tors. theta energy: -65.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -587.875954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.875954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.875954 (E_RNA) where: Base-Base interactions energy: -336.918 where: short stacking energy: -181.903 Base-Backbone interact. energy: 1.361 local terms energy: -252.319114 where: bonds (distance) C4'-P energy: -66.214 bonds (distance) P-C4' energy: -69.960 flat angles C4'-P-C4' energy: -61.840 flat angles P-C4'-P energy: -39.449 tors. eta vs tors. theta energy: -14.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -464.857076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.857076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.857076 (E_RNA) where: Base-Base interactions energy: -219.957 where: short stacking energy: -142.876 Base-Backbone interact. energy: -1.709 local terms energy: -243.190910 where: bonds (distance) C4'-P energy: -68.165 bonds (distance) P-C4' energy: -64.116 flat angles C4'-P-C4' energy: -71.735 flat angles P-C4'-P energy: -31.463 tors. eta vs tors. theta energy: -7.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1572.899490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.899490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.899490 (E_RNA) where: Base-Base interactions energy: -1131.868 where: short stacking energy: -462.284 Base-Backbone interact. energy: -1.560 local terms energy: -439.471345 where: bonds (distance) C4'-P energy: -74.370 bonds (distance) P-C4' energy: -77.072 flat angles C4'-P-C4' energy: -95.628 flat angles P-C4'-P energy: -65.991 tors. eta vs tors. theta energy: -126.410 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: 316 Temperature: 0.950000 Total energy: -1503.108401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.108401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.108401 (E_RNA) where: Base-Base interactions energy: -1057.109 where: short stacking energy: -452.903 Base-Backbone interact. energy: -2.946 local terms energy: -443.053410 where: bonds (distance) C4'-P energy: -88.543 bonds (distance) P-C4' energy: -79.900 flat angles C4'-P-C4' energy: -89.550 flat angles P-C4'-P energy: -59.720 tors. eta vs tors. theta energy: -125.341 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: 2 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1458.097761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.097761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.097761 (E_RNA) where: Base-Base interactions energy: -1010.612 where: short stacking energy: -449.054 Base-Backbone interact. energy: -2.876 local terms energy: -444.609306 where: bonds (distance) C4'-P energy: -77.608 bonds (distance) P-C4' energy: -80.472 flat angles C4'-P-C4' energy: -95.141 flat angles P-C4'-P energy: -66.146 tors. eta vs tors. theta energy: -125.243 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: 9 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1371.234568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.234568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.234568 (E_RNA) where: Base-Base interactions energy: -968.490 where: short stacking energy: -409.311 Base-Backbone interact. energy: 0.053 local terms energy: -402.797089 where: bonds (distance) C4'-P energy: -68.636 bonds (distance) P-C4' energy: -84.004 flat angles C4'-P-C4' energy: -81.993 flat angles P-C4'-P energy: -56.890 tors. eta vs tors. theta energy: -111.273 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: 5, replica: 6 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1333.160687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.160687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.160687 (E_RNA) where: Base-Base interactions energy: -940.818 where: short stacking energy: -399.499 Base-Backbone interact. energy: 0.628 local terms energy: -392.970968 where: bonds (distance) C4'-P energy: -75.024 bonds (distance) P-C4' energy: -77.112 flat angles C4'-P-C4' energy: -78.296 flat angles P-C4'-P energy: -58.248 tors. eta vs tors. theta energy: -104.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1201.771418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.771418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.771418 (E_RNA) where: Base-Base interactions energy: -813.075 where: short stacking energy: -366.509 Base-Backbone interact. energy: 3.387 local terms energy: -392.083990 where: bonds (distance) C4'-P energy: -65.218 bonds (distance) P-C4' energy: -74.317 flat angles C4'-P-C4' energy: -87.661 flat angles P-C4'-P energy: -62.423 tors. eta vs tors. theta energy: -102.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1004.270506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.270506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.270506 (E_RNA) where: Base-Base interactions energy: -670.964 where: short stacking energy: -296.265 Base-Backbone interact. energy: 1.564 local terms energy: -334.870446 where: bonds (distance) C4'-P energy: -66.595 bonds (distance) P-C4' energy: -65.736 flat angles C4'-P-C4' energy: -87.243 flat angles P-C4'-P energy: -47.847 tors. eta vs tors. theta energy: -67.449 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: 10 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1017.372124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.372124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.372124 (E_RNA) where: Base-Base interactions energy: -690.723 where: short stacking energy: -314.123 Base-Backbone interact. energy: -1.216 local terms energy: -325.432928 where: bonds (distance) C4'-P energy: -59.127 bonds (distance) P-C4' energy: -69.250 flat angles C4'-P-C4' energy: -73.723 flat angles P-C4'-P energy: -44.411 tors. eta vs tors. theta energy: -78.922 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: 5 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -661.813145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.813145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.813145 (E_RNA) where: Base-Base interactions energy: -385.655 where: short stacking energy: -173.738 Base-Backbone interact. energy: 0.331 local terms energy: -276.488377 where: bonds (distance) C4'-P energy: -71.373 bonds (distance) P-C4' energy: -68.809 flat angles C4'-P-C4' energy: -71.254 flat angles P-C4'-P energy: -54.881 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: 10, replica: 4 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -416.047161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.047161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.047161 (E_RNA) where: Base-Base interactions energy: -189.724 where: short stacking energy: -123.871 Base-Backbone interact. energy: -0.897 local terms energy: -225.426511 where: bonds (distance) C4'-P energy: -59.653 bonds (distance) P-C4' energy: -77.707 flat angles C4'-P-C4' energy: -61.049 flat angles P-C4'-P energy: -34.379 tors. eta vs tors. theta energy: 7.361 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: 3 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1579.915090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.915090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.915090 (E_RNA) where: Base-Base interactions energy: -1138.272 where: short stacking energy: -464.917 Base-Backbone interact. energy: 2.480 local terms energy: -444.123072 where: bonds (distance) C4'-P energy: -88.969 bonds (distance) P-C4' energy: -83.410 flat angles C4'-P-C4' energy: -98.715 flat angles P-C4'-P energy: -56.758 tors. eta vs tors. theta energy: -116.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1509.737279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.737279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.737279 (E_RNA) where: Base-Base interactions energy: -1041.448 where: short stacking energy: -472.820 Base-Backbone interact. energy: -1.175 local terms energy: -467.114303 where: bonds (distance) C4'-P energy: -80.775 bonds (distance) P-C4' energy: -86.820 flat angles C4'-P-C4' energy: -95.895 flat angles P-C4'-P energy: -69.300 tors. eta vs tors. theta energy: -134.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1477.768624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.768624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.768624 (E_RNA) where: Base-Base interactions energy: -1062.939 where: short stacking energy: -431.584 Base-Backbone interact. energy: 1.683 local terms energy: -416.513092 where: bonds (distance) C4'-P energy: -86.789 bonds (distance) P-C4' energy: -64.744 flat angles C4'-P-C4' energy: -88.029 flat angles P-C4'-P energy: -50.039 tors. eta vs tors. theta energy: -126.913 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: 317 Temperature: 1.050000 Total energy: -1387.734598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.734598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.734598 (E_RNA) where: Base-Base interactions energy: -974.622 where: short stacking energy: -413.042 Base-Backbone interact. energy: -0.474 local terms energy: -412.638892 where: bonds (distance) C4'-P energy: -81.654 bonds (distance) P-C4' energy: -82.855 flat angles C4'-P-C4' energy: -82.425 flat angles P-C4'-P energy: -55.366 tors. eta vs tors. theta energy: -110.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -1362.532846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.532846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.532846 (E_RNA) where: Base-Base interactions energy: -961.179 where: short stacking energy: -410.591 Base-Backbone interact. energy: -1.744 local terms energy: -399.609732 where: bonds (distance) C4'-P energy: -69.429 bonds (distance) P-C4' energy: -85.470 flat angles C4'-P-C4' energy: -81.720 flat angles P-C4'-P energy: -63.294 tors. eta vs tors. theta energy: -99.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1204.022156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.022156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.022156 (E_RNA) where: Base-Base interactions energy: -826.355 where: short stacking energy: -341.548 Base-Backbone interact. energy: 1.168 local terms energy: -378.834731 where: bonds (distance) C4'-P energy: -74.913 bonds (distance) P-C4' energy: -71.723 flat angles C4'-P-C4' energy: -89.889 flat angles P-C4'-P energy: -48.003 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: 7, replica: 1 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -994.567101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.567101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.567101 (E_RNA) where: Base-Base interactions energy: -650.991 where: short stacking energy: -298.462 Base-Backbone interact. energy: -2.960 local terms energy: -340.615462 where: bonds (distance) C4'-P energy: -65.646 bonds (distance) P-C4' energy: -68.514 flat angles C4'-P-C4' energy: -90.461 flat angles P-C4'-P energy: -50.061 tors. eta vs tors. theta energy: -65.934 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: 10 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -977.837825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.837825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.837825 (E_RNA) where: Base-Base interactions energy: -625.571 where: short stacking energy: -291.446 Base-Backbone interact. energy: -1.335 local terms energy: -350.932104 where: bonds (distance) C4'-P energy: -78.171 bonds (distance) P-C4' energy: -74.393 flat angles C4'-P-C4' energy: -68.679 flat angles P-C4'-P energy: -49.997 tors. eta vs tors. theta energy: -79.691 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: 5 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -722.061984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.061984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.061984 (E_RNA) where: Base-Base interactions energy: -432.835 where: short stacking energy: -212.823 Base-Backbone interact. energy: -1.340 local terms energy: -287.886549 where: bonds (distance) C4'-P energy: -77.727 bonds (distance) P-C4' energy: -74.242 flat angles C4'-P-C4' energy: -54.815 flat angles P-C4'-P energy: -50.415 tors. eta vs tors. theta energy: -30.687 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: 4 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -438.329543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.329543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.329543 (E_RNA) where: Base-Base interactions energy: -202.390 where: short stacking energy: -141.345 Base-Backbone interact. energy: -1.403 local terms energy: -234.536193 where: bonds (distance) C4'-P energy: -66.718 bonds (distance) P-C4' energy: -73.600 flat angles C4'-P-C4' energy: -53.028 flat angles P-C4'-P energy: -27.634 tors. eta vs tors. theta energy: -13.556 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: 3 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1580.387379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.387379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.387379 (E_RNA) where: Base-Base interactions energy: -1116.590 where: short stacking energy: -450.416 Base-Backbone interact. energy: -1.100 local terms energy: -462.696788 where: bonds (distance) C4'-P energy: -80.425 bonds (distance) P-C4' energy: -87.721 flat angles C4'-P-C4' energy: -99.390 flat angles P-C4'-P energy: -63.832 tors. eta vs tors. theta energy: -131.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1490.072559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.072559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.072559 (E_RNA) where: Base-Base interactions energy: -1038.366 where: short stacking energy: -474.420 Base-Backbone interact. energy: -1.111 local terms energy: -450.594962 where: bonds (distance) C4'-P energy: -76.157 bonds (distance) P-C4' energy: -84.805 flat angles C4'-P-C4' energy: -99.126 flat angles P-C4'-P energy: -62.137 tors. eta vs tors. theta energy: -128.371 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: 8 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1483.142487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.142487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.142487 (E_RNA) where: Base-Base interactions energy: -1059.134 where: short stacking energy: -427.559 Base-Backbone interact. energy: -1.768 local terms energy: -422.240650 where: bonds (distance) C4'-P energy: -81.476 bonds (distance) P-C4' energy: -78.632 flat angles C4'-P-C4' energy: -95.313 flat angles P-C4'-P energy: -47.538 tors. eta vs tors. theta energy: -119.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1347.485746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.485746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.485746 (E_RNA) where: Base-Base interactions energy: -956.435 where: short stacking energy: -384.218 Base-Backbone interact. energy: 2.072 local terms energy: -393.123025 where: bonds (distance) C4'-P energy: -59.166 bonds (distance) P-C4' energy: -75.946 flat angles C4'-P-C4' energy: -87.585 flat angles P-C4'-P energy: -61.123 tors. eta vs tors. theta energy: -109.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -1335.073108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.073108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.073108 (E_RNA) where: Base-Base interactions energy: -937.274 where: short stacking energy: -393.314 Base-Backbone interact. energy: -0.656 local terms energy: -397.143726 where: bonds (distance) C4'-P energy: -72.696 bonds (distance) P-C4' energy: -78.318 flat angles C4'-P-C4' energy: -96.986 flat angles P-C4'-P energy: -50.485 tors. eta vs tors. theta energy: -98.659 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: 7 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1192.407836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.407836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.407836 (E_RNA) where: Base-Base interactions energy: -815.262 where: short stacking energy: -365.895 Base-Backbone interact. energy: -0.193 local terms energy: -376.952778 where: bonds (distance) C4'-P energy: -70.854 bonds (distance) P-C4' energy: -75.320 flat angles C4'-P-C4' energy: -83.336 flat angles P-C4'-P energy: -48.185 tors. eta vs tors. theta energy: -99.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1029.458585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.458585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.458585 (E_RNA) where: Base-Base interactions energy: -709.350 where: short stacking energy: -305.723 Base-Backbone interact. energy: 0.019 local terms energy: -320.128110 where: bonds (distance) C4'-P energy: -65.900 bonds (distance) P-C4' energy: -63.424 flat angles C4'-P-C4' energy: -69.822 flat angles P-C4'-P energy: -53.824 tors. eta vs tors. theta energy: -67.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -969.229792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.229792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.229792 (E_RNA) where: Base-Base interactions energy: -649.681 where: short stacking energy: -310.584 Base-Backbone interact. energy: -2.578 local terms energy: -316.970194 where: bonds (distance) C4'-P energy: -62.350 bonds (distance) P-C4' energy: -67.418 flat angles C4'-P-C4' energy: -71.583 flat angles P-C4'-P energy: -49.946 tors. eta vs tors. theta energy: -65.673 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: 5 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -702.574134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.574134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.574134 (E_RNA) where: Base-Base interactions energy: -429.169 where: short stacking energy: -207.697 Base-Backbone interact. energy: -0.352 local terms energy: -273.052965 where: bonds (distance) C4'-P energy: -61.346 bonds (distance) P-C4' energy: -70.740 flat angles C4'-P-C4' energy: -59.505 flat angles P-C4'-P energy: -42.338 tors. eta vs tors. theta energy: -39.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -437.915763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.915763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.915763 (E_RNA) where: Base-Base interactions energy: -179.418 where: short stacking energy: -119.064 Base-Backbone interact. energy: -1.660 local terms energy: -256.837431 where: bonds (distance) C4'-P energy: -69.571 bonds (distance) P-C4' energy: -79.520 flat angles C4'-P-C4' energy: -71.846 flat angles P-C4'-P energy: -28.891 tors. eta vs tors. theta energy: -7.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1581.122921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.122921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.122921 (E_RNA) where: Base-Base interactions energy: -1117.568 where: short stacking energy: -465.569 Base-Backbone interact. energy: -3.539 local terms energy: -460.015839 where: bonds (distance) C4'-P energy: -85.451 bonds (distance) P-C4' energy: -80.487 flat angles C4'-P-C4' energy: -97.171 flat angles P-C4'-P energy: -65.816 tors. eta vs tors. theta energy: -131.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1533.050453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.050453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.050453 (E_RNA) where: Base-Base interactions energy: -1071.832 where: short stacking energy: -459.470 Base-Backbone interact. energy: -1.655 local terms energy: -459.562937 where: bonds (distance) C4'-P energy: -81.377 bonds (distance) P-C4' energy: -83.064 flat angles C4'-P-C4' energy: -95.598 flat angles P-C4'-P energy: -64.821 tors. eta vs tors. theta energy: -134.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1455.316051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.316051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.316051 (E_RNA) where: Base-Base interactions energy: -1014.441 where: short stacking energy: -464.749 Base-Backbone interact. energy: -1.966 local terms energy: -438.909739 where: bonds (distance) C4'-P energy: -78.835 bonds (distance) P-C4' energy: -79.036 flat angles C4'-P-C4' energy: -97.996 flat angles P-C4'-P energy: -53.383 tors. eta vs tors. theta energy: -129.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1350.404526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.404526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.404526 (E_RNA) where: Base-Base interactions energy: -950.885 where: short stacking energy: -393.155 Base-Backbone interact. energy: -2.689 local terms energy: -396.830735 where: bonds (distance) C4'-P energy: -65.909 bonds (distance) P-C4' energy: -77.603 flat angles C4'-P-C4' energy: -86.158 flat angles P-C4'-P energy: -60.183 tors. eta vs tors. theta energy: -106.977 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: 5, replica: 6 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1311.011442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.011442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.011442 (E_RNA) where: Base-Base interactions energy: -931.486 where: short stacking energy: -402.179 Base-Backbone interact. energy: -0.044 local terms energy: -379.480840 where: bonds (distance) C4'-P energy: -68.004 bonds (distance) P-C4' energy: -70.285 flat angles C4'-P-C4' energy: -84.947 flat angles P-C4'-P energy: -48.647 tors. eta vs tors. theta energy: -107.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1198.369872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.369872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.369872 (E_RNA) where: Base-Base interactions energy: -809.477 where: short stacking energy: -375.536 Base-Backbone interact. energy: -0.963 local terms energy: -387.930328 where: bonds (distance) C4'-P energy: -74.258 bonds (distance) P-C4' energy: -74.054 flat angles C4'-P-C4' energy: -81.778 flat angles P-C4'-P energy: -54.619 tors. eta vs tors. theta energy: -103.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1005.532097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.532097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.532097 (E_RNA) where: Base-Base interactions energy: -659.347 where: short stacking energy: -270.580 Base-Backbone interact. energy: -1.452 local terms energy: -344.733353 where: bonds (distance) C4'-P energy: -72.700 bonds (distance) P-C4' energy: -80.121 flat angles C4'-P-C4' energy: -80.612 flat angles P-C4'-P energy: -53.279 tors. eta vs tors. theta energy: -58.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -960.512395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.512395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.512395 (E_RNA) where: Base-Base interactions energy: -653.012 where: short stacking energy: -272.327 Base-Backbone interact. energy: 3.652 local terms energy: -311.152258 where: bonds (distance) C4'-P energy: -72.558 bonds (distance) P-C4' energy: -66.934 flat angles C4'-P-C4' energy: -64.105 flat angles P-C4'-P energy: -47.641 tors. eta vs tors. theta energy: -59.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -738.374476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.374476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.374476 (E_RNA) where: Base-Base interactions energy: -456.048 where: short stacking energy: -221.335 Base-Backbone interact. energy: 0.676 local terms energy: -283.001989 where: bonds (distance) C4'-P energy: -65.414 bonds (distance) P-C4' energy: -67.264 flat angles C4'-P-C4' energy: -64.761 flat angles P-C4'-P energy: -47.866 tors. eta vs tors. theta energy: -37.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -397.323175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.323175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.323175 (E_RNA) where: Base-Base interactions energy: -177.179 where: short stacking energy: -98.766 Base-Backbone interact. energy: 2.133 local terms energy: -222.276505 where: bonds (distance) C4'-P energy: -70.018 bonds (distance) P-C4' energy: -75.342 flat angles C4'-P-C4' energy: -45.854 flat angles P-C4'-P energy: -40.007 tors. eta vs tors. theta energy: 8.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1588.338952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.338952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.338952 (E_RNA) where: Base-Base interactions energy: -1118.771 where: short stacking energy: -459.806 Base-Backbone interact. energy: -0.766 local terms energy: -468.802527 where: bonds (distance) C4'-P energy: -85.752 bonds (distance) P-C4' energy: -80.636 flat angles C4'-P-C4' energy: -100.501 flat angles P-C4'-P energy: -72.171 tors. eta vs tors. theta energy: -129.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1530.186194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.186194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.186194 (E_RNA) where: Base-Base interactions energy: -1089.582 where: short stacking energy: -464.953 Base-Backbone interact. energy: 2.106 local terms energy: -442.710301 where: bonds (distance) C4'-P energy: -71.847 bonds (distance) P-C4' energy: -85.259 flat angles C4'-P-C4' energy: -100.925 flat angles P-C4'-P energy: -55.489 tors. eta vs tors. theta energy: -129.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1454.072969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.072969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.072969 (E_RNA) where: Base-Base interactions energy: -1020.760 where: short stacking energy: -451.963 Base-Backbone interact. energy: -2.182 local terms energy: -431.130692 where: bonds (distance) C4'-P energy: -79.142 bonds (distance) P-C4' energy: -77.632 flat angles C4'-P-C4' energy: -88.124 flat angles P-C4'-P energy: -58.711 tors. eta vs tors. theta energy: -127.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1363.404046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.404046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.404046 (E_RNA) where: Base-Base interactions energy: -960.424 where: short stacking energy: -392.983 Base-Backbone interact. energy: -4.331 local terms energy: -398.649210 where: bonds (distance) C4'-P energy: -60.337 bonds (distance) P-C4' energy: -72.014 flat angles C4'-P-C4' energy: -89.304 flat angles P-C4'-P energy: -62.423 tors. eta vs tors. theta energy: -114.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1292.104766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.104766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.104766 (E_RNA) where: Base-Base interactions energy: -886.068 where: short stacking energy: -368.016 Base-Backbone interact. energy: -2.065 local terms energy: -403.971387 where: bonds (distance) C4'-P energy: -68.175 bonds (distance) P-C4' energy: -83.775 flat angles C4'-P-C4' energy: -98.120 flat angles P-C4'-P energy: -53.575 tors. eta vs tors. theta energy: -100.327 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: 7 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1179.029696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.029696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.029696 (E_RNA) where: Base-Base interactions energy: -808.818 where: short stacking energy: -375.995 Base-Backbone interact. energy: 1.838 local terms energy: -372.049657 where: bonds (distance) C4'-P energy: -69.415 bonds (distance) P-C4' energy: -69.335 flat angles C4'-P-C4' energy: -84.797 flat angles P-C4'-P energy: -51.897 tors. eta vs tors. theta energy: -96.606 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: 320 Temperature: 1.200000 Total energy: -1026.428612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.428612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.428612 (E_RNA) where: Base-Base interactions energy: -684.031 where: short stacking energy: -284.165 Base-Backbone interact. energy: -1.204 local terms energy: -341.193112 where: bonds (distance) C4'-P energy: -77.937 bonds (distance) P-C4' energy: -73.383 flat angles C4'-P-C4' energy: -81.868 flat angles P-C4'-P energy: -38.436 tors. eta vs tors. theta energy: -69.569 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: 10 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -963.852891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.852891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.852891 (E_RNA) where: Base-Base interactions energy: -637.623 where: short stacking energy: -292.568 Base-Backbone interact. energy: -0.909 local terms energy: -325.320836 where: bonds (distance) C4'-P energy: -63.528 bonds (distance) P-C4' energy: -89.504 flat angles C4'-P-C4' energy: -64.656 flat angles P-C4'-P energy: -36.012 tors. eta vs tors. theta energy: -71.620 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: 5 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -722.496349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.496349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.496349 (E_RNA) where: Base-Base interactions energy: -456.984 where: short stacking energy: -223.698 Base-Backbone interact. energy: -2.238 local terms energy: -263.274683 where: bonds (distance) C4'-P energy: -78.087 bonds (distance) P-C4' energy: -59.015 flat angles C4'-P-C4' energy: -45.157 flat angles P-C4'-P energy: -46.028 tors. eta vs tors. theta energy: -34.987 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: 4 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -389.311636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.311636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.311636 (E_RNA) where: Base-Base interactions energy: -169.162 where: short stacking energy: -120.338 Base-Backbone interact. energy: 2.476 local terms energy: -222.625663 where: bonds (distance) C4'-P energy: -55.520 bonds (distance) P-C4' energy: -77.786 flat angles C4'-P-C4' energy: -62.071 flat angles P-C4'-P energy: -32.404 tors. eta vs tors. theta energy: 5.155 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: 3 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1589.130461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.130461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.130461 (E_RNA) where: Base-Base interactions energy: -1106.851 where: short stacking energy: -454.960 Base-Backbone interact. energy: -1.456 local terms energy: -480.823313 where: bonds (distance) C4'-P energy: -90.877 bonds (distance) P-C4' energy: -83.267 flat angles C4'-P-C4' energy: -95.306 flat angles P-C4'-P energy: -78.654 tors. eta vs tors. theta energy: -132.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1522.141284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.141284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.141284 (E_RNA) where: Base-Base interactions energy: -1082.718 where: short stacking energy: -431.064 Base-Backbone interact. energy: -1.860 local terms energy: -437.562812 where: bonds (distance) C4'-P energy: -81.004 bonds (distance) P-C4' energy: -83.624 flat angles C4'-P-C4' energy: -92.154 flat angles P-C4'-P energy: -58.826 tors. eta vs tors. theta energy: -121.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1423.510857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.510857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.510857 (E_RNA) where: Base-Base interactions energy: -977.224 where: short stacking energy: -425.589 Base-Backbone interact. energy: -2.325 local terms energy: -443.961300 where: bonds (distance) C4'-P energy: -79.808 bonds (distance) P-C4' energy: -77.652 flat angles C4'-P-C4' energy: -95.278 flat angles P-C4'-P energy: -70.766 tors. eta vs tors. theta energy: -120.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1357.791940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.791940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.791940 (E_RNA) where: Base-Base interactions energy: -940.353 where: short stacking energy: -410.231 Base-Backbone interact. energy: -0.707 local terms energy: -416.731958 where: bonds (distance) C4'-P energy: -76.338 bonds (distance) P-C4' energy: -75.873 flat angles C4'-P-C4' energy: -98.303 flat angles P-C4'-P energy: -58.245 tors. eta vs tors. theta energy: -107.973 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: 6 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1307.308006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.308006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.308006 (E_RNA) where: Base-Base interactions energy: -909.745 where: short stacking energy: -385.696 Base-Backbone interact. energy: -2.516 local terms energy: -395.047726 where: bonds (distance) C4'-P energy: -79.297 bonds (distance) P-C4' energy: -75.776 flat angles C4'-P-C4' energy: -78.432 flat angles P-C4'-P energy: -62.018 tors. eta vs tors. theta energy: -99.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1184.211829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.211829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.211829 (E_RNA) where: Base-Base interactions energy: -812.866 where: short stacking energy: -359.303 Base-Backbone interact. energy: -1.101 local terms energy: -370.244530 where: bonds (distance) C4'-P energy: -72.853 bonds (distance) P-C4' energy: -75.908 flat angles C4'-P-C4' energy: -84.511 flat angles P-C4'-P energy: -48.728 tors. eta vs tors. theta energy: -88.244 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: 1 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1032.196760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.196760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.196760 (E_RNA) where: Base-Base interactions energy: -685.542 where: short stacking energy: -311.067 Base-Backbone interact. energy: -1.609 local terms energy: -345.045611 where: bonds (distance) C4'-P energy: -75.108 bonds (distance) P-C4' energy: -76.689 flat angles C4'-P-C4' energy: -75.894 flat angles P-C4'-P energy: -46.427 tors. eta vs tors. theta energy: -70.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -969.613086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.613086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.613086 (E_RNA) where: Base-Base interactions energy: -628.570 where: short stacking energy: -301.861 Base-Backbone interact. energy: -1.065 local terms energy: -339.977284 where: bonds (distance) C4'-P energy: -70.190 bonds (distance) P-C4' energy: -55.747 flat angles C4'-P-C4' energy: -83.368 flat angles P-C4'-P energy: -55.578 tors. eta vs tors. theta energy: -75.094 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: 5 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -762.145338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.145338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.145338 (E_RNA) where: Base-Base interactions energy: -471.635 where: short stacking energy: -226.571 Base-Backbone interact. energy: 1.485 local terms energy: -291.994721 where: bonds (distance) C4'-P energy: -72.427 bonds (distance) P-C4' energy: -75.617 flat angles C4'-P-C4' energy: -60.622 flat angles P-C4'-P energy: -46.436 tors. eta vs tors. theta energy: -36.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -410.183671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.183671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.183671 (E_RNA) where: Base-Base interactions energy: -196.630 where: short stacking energy: -138.236 Base-Backbone interact. energy: 2.097 local terms energy: -215.651609 where: bonds (distance) C4'-P energy: -54.251 bonds (distance) P-C4' energy: -63.494 flat angles C4'-P-C4' energy: -61.131 flat angles P-C4'-P energy: -25.552 tors. eta vs tors. theta energy: -11.223 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: 3 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1597.394074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.394074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.394074 (E_RNA) where: Base-Base interactions energy: -1161.990 where: short stacking energy: -460.865 Base-Backbone interact. energy: -0.423 local terms energy: -434.980666 where: bonds (distance) C4'-P energy: -74.164 bonds (distance) P-C4' energy: -70.873 flat angles C4'-P-C4' energy: -95.091 flat angles P-C4'-P energy: -66.060 tors. eta vs tors. theta energy: -128.793 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: 8 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1508.623964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.623964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.623964 (E_RNA) where: Base-Base interactions energy: -1071.065 where: short stacking energy: -439.936 Base-Backbone interact. energy: 1.525 local terms energy: -439.083998 where: bonds (distance) C4'-P energy: -79.890 bonds (distance) P-C4' energy: -82.934 flat angles C4'-P-C4' energy: -91.833 flat angles P-C4'-P energy: -59.144 tors. eta vs tors. theta energy: -125.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1421.798335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.798335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.798335 (E_RNA) where: Base-Base interactions energy: -985.285 where: short stacking energy: -394.559 Base-Backbone interact. energy: -1.870 local terms energy: -434.644097 where: bonds (distance) C4'-P energy: -75.442 bonds (distance) P-C4' energy: -82.943 flat angles C4'-P-C4' energy: -97.734 flat angles P-C4'-P energy: -67.408 tors. eta vs tors. theta energy: -111.117 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: 2 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1445.152688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.152688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.152688 (E_RNA) where: Base-Base interactions energy: -1002.436 where: short stacking energy: -446.529 Base-Backbone interact. energy: 0.218 local terms energy: -442.934424 where: bonds (distance) C4'-P energy: -72.165 bonds (distance) P-C4' energy: -83.824 flat angles C4'-P-C4' energy: -98.856 flat angles P-C4'-P energy: -62.168 tors. eta vs tors. theta energy: -125.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1310.608547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.608547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.608547 (E_RNA) where: Base-Base interactions energy: -915.079 where: short stacking energy: -374.731 Base-Backbone interact. energy: 0.908 local terms energy: -396.437819 where: bonds (distance) C4'-P energy: -90.378 bonds (distance) P-C4' energy: -76.601 flat angles C4'-P-C4' energy: -82.902 flat angles P-C4'-P energy: -52.285 tors. eta vs tors. theta energy: -94.272 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: 7 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1124.878808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.878808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.878808 (E_RNA) where: Base-Base interactions energy: -755.934 where: short stacking energy: -339.336 Base-Backbone interact. energy: -1.892 local terms energy: -367.052499 where: bonds (distance) C4'-P energy: -77.247 bonds (distance) P-C4' energy: -69.000 flat angles C4'-P-C4' energy: -82.916 flat angles P-C4'-P energy: -57.925 tors. eta vs tors. theta energy: -79.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1070.904209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.904209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.904209 (E_RNA) where: Base-Base interactions energy: -723.593 where: short stacking energy: -318.940 Base-Backbone interact. energy: -0.416 local terms energy: -346.894738 where: bonds (distance) C4'-P energy: -66.987 bonds (distance) P-C4' energy: -81.320 flat angles C4'-P-C4' energy: -74.008 flat angles P-C4'-P energy: -51.009 tors. eta vs tors. theta energy: -73.571 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: 10 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1061.236063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.236063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.236063 (E_RNA) where: Base-Base interactions energy: -701.189 where: short stacking energy: -309.708 Base-Backbone interact. energy: -1.129 local terms energy: -358.918010 where: bonds (distance) C4'-P energy: -74.159 bonds (distance) P-C4' energy: -69.092 flat angles C4'-P-C4' energy: -76.198 flat angles P-C4'-P energy: -52.833 tors. eta vs tors. theta energy: -86.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -676.069136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.069136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.069136 (E_RNA) where: Base-Base interactions energy: -410.611 where: short stacking energy: -200.558 Base-Backbone interact. energy: -1.132 local terms energy: -264.326163 where: bonds (distance) C4'-P energy: -59.817 bonds (distance) P-C4' energy: -72.735 flat angles C4'-P-C4' energy: -72.786 flat angles P-C4'-P energy: -33.965 tors. eta vs tors. theta energy: -25.024 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: 4 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -421.756930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.756930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.756930 (E_RNA) where: Base-Base interactions energy: -201.647 where: short stacking energy: -132.585 Base-Backbone interact. energy: 2.532 local terms energy: -222.641380 where: bonds (distance) C4'-P energy: -75.862 bonds (distance) P-C4' energy: -63.781 flat angles C4'-P-C4' energy: -49.489 flat angles P-C4'-P energy: -44.033 tors. eta vs tors. theta energy: 10.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1572.034219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.034219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.034219 (E_RNA) where: Base-Base interactions energy: -1095.795 where: short stacking energy: -439.206 Base-Backbone interact. energy: -0.350 local terms energy: -475.888542 where: bonds (distance) C4'-P energy: -89.550 bonds (distance) P-C4' energy: -86.318 flat angles C4'-P-C4' energy: -98.055 flat angles P-C4'-P energy: -71.192 tors. eta vs tors. theta energy: -130.774 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: 2, replica: 9 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1458.613803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.613803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.613803 (E_RNA) where: Base-Base interactions energy: -1016.726 where: short stacking energy: -431.475 Base-Backbone interact. energy: 0.402 local terms energy: -442.289359 where: bonds (distance) C4'-P energy: -70.387 bonds (distance) P-C4' energy: -87.149 flat angles C4'-P-C4' energy: -103.351 flat angles P-C4'-P energy: -66.619 tors. eta vs tors. theta energy: -114.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -1450.576345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.576345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.576345 (E_RNA) where: Base-Base interactions energy: -1002.626 where: short stacking energy: -402.298 Base-Backbone interact. energy: 4.066 local terms energy: -452.016202 where: bonds (distance) C4'-P energy: -85.643 bonds (distance) P-C4' energy: -88.322 flat angles C4'-P-C4' energy: -94.219 flat angles P-C4'-P energy: -67.946 tors. eta vs tors. theta energy: -115.886 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: 2 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1423.229827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.229827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.229827 (E_RNA) where: Base-Base interactions energy: -976.238 where: short stacking energy: -424.857 Base-Backbone interact. energy: 1.202 local terms energy: -448.193937 where: bonds (distance) C4'-P energy: -82.214 bonds (distance) P-C4' energy: -78.134 flat angles C4'-P-C4' energy: -97.748 flat angles P-C4'-P energy: -60.881 tors. eta vs tors. theta energy: -129.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -1295.498441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.498441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.498441 (E_RNA) where: Base-Base interactions energy: -899.616 where: short stacking energy: -389.419 Base-Backbone interact. energy: -1.586 local terms energy: -394.296167 where: bonds (distance) C4'-P energy: -76.927 bonds (distance) P-C4' energy: -84.850 flat angles C4'-P-C4' energy: -81.641 flat angles P-C4'-P energy: -49.514 tors. eta vs tors. theta energy: -101.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1147.860096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.860096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.860096 (E_RNA) where: Base-Base interactions energy: -790.556 where: short stacking energy: -321.945 Base-Backbone interact. energy: -2.142 local terms energy: -355.161536 where: bonds (distance) C4'-P energy: -74.522 bonds (distance) P-C4' energy: -83.953 flat angles C4'-P-C4' energy: -75.376 flat angles P-C4'-P energy: -43.396 tors. eta vs tors. theta energy: -77.914 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: 7 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1111.903600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.903600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.903600 (E_RNA) where: Base-Base interactions energy: -746.978 where: short stacking energy: -316.637 Base-Backbone interact. energy: -0.378 local terms energy: -364.548127 where: bonds (distance) C4'-P energy: -77.203 bonds (distance) P-C4' energy: -71.520 flat angles C4'-P-C4' energy: -73.339 flat angles P-C4'-P energy: -47.444 tors. eta vs tors. theta energy: -95.042 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: 10 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -997.124592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.124592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.124592 (E_RNA) where: Base-Base interactions energy: -681.028 where: short stacking energy: -297.671 Base-Backbone interact. energy: -0.971 local terms energy: -315.125873 where: bonds (distance) C4'-P energy: -72.749 bonds (distance) P-C4' energy: -55.841 flat angles C4'-P-C4' energy: -69.748 flat angles P-C4'-P energy: -45.230 tors. eta vs tors. theta energy: -71.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -663.248995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.248995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.248995 (E_RNA) where: Base-Base interactions energy: -385.479 where: short stacking energy: -190.038 Base-Backbone interact. energy: -2.338 local terms energy: -275.431688 where: bonds (distance) C4'-P energy: -81.768 bonds (distance) P-C4' energy: -75.171 flat angles C4'-P-C4' energy: -71.436 flat angles P-C4'-P energy: -25.288 tors. eta vs tors. theta energy: -21.769 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: 4 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -418.415744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.415744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.415744 (E_RNA) where: Base-Base interactions energy: -200.717 where: short stacking energy: -120.679 Base-Backbone interact. energy: -0.901 local terms energy: -216.797763 where: bonds (distance) C4'-P energy: -57.847 bonds (distance) P-C4' energy: -63.628 flat angles C4'-P-C4' energy: -57.936 flat angles P-C4'-P energy: -32.735 tors. eta vs tors. theta energy: -4.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1593.677507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.677507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.677507 (E_RNA) where: Base-Base interactions energy: -1139.723 where: short stacking energy: -454.124 Base-Backbone interact. energy: -2.402 local terms energy: -451.552392 where: bonds (distance) C4'-P energy: -78.091 bonds (distance) P-C4' energy: -82.165 flat angles C4'-P-C4' energy: -97.043 flat angles P-C4'-P energy: -65.815 tors. eta vs tors. theta energy: -128.438 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: 2, replica: 9 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1486.494515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.494515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.494515 (E_RNA) where: Base-Base interactions energy: -1019.138 where: short stacking energy: -447.680 Base-Backbone interact. energy: 1.114 local terms energy: -468.470323 where: bonds (distance) C4'-P energy: -91.289 bonds (distance) P-C4' energy: -87.936 flat angles C4'-P-C4' energy: -103.499 flat angles P-C4'-P energy: -59.229 tors. eta vs tors. theta energy: -126.517 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: 8 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1465.429377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.429377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.429377 (E_RNA) where: Base-Base interactions energy: -1009.359 where: short stacking energy: -440.868 Base-Backbone interact. energy: -0.415 local terms energy: -455.655562 where: bonds (distance) C4'-P energy: -82.602 bonds (distance) P-C4' energy: -83.878 flat angles C4'-P-C4' energy: -101.978 flat angles P-C4'-P energy: -58.851 tors. eta vs tors. theta energy: -128.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1430.625238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.625238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.625238 (E_RNA) where: Base-Base interactions energy: -995.846 where: short stacking energy: -434.517 Base-Backbone interact. energy: -0.489 local terms energy: -434.290597 where: bonds (distance) C4'-P energy: -77.221 bonds (distance) P-C4' energy: -85.051 flat angles C4'-P-C4' energy: -90.571 flat angles P-C4'-P energy: -57.378 tors. eta vs tors. theta energy: -124.070 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: 6 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -1320.151042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.151042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.151042 (E_RNA) where: Base-Base interactions energy: -900.161 where: short stacking energy: -391.982 Base-Backbone interact. energy: -0.624 local terms energy: -419.366423 where: bonds (distance) C4'-P energy: -78.828 bonds (distance) P-C4' energy: -83.100 flat angles C4'-P-C4' energy: -91.881 flat angles P-C4'-P energy: -49.031 tors. eta vs tors. theta energy: -116.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1119.989722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.989722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.989722 (E_RNA) where: Base-Base interactions energy: -790.767 where: short stacking energy: -333.565 Base-Backbone interact. energy: 0.836 local terms energy: -330.058878 where: bonds (distance) C4'-P energy: -62.132 bonds (distance) P-C4' energy: -56.737 flat angles C4'-P-C4' energy: -90.120 flat angles P-C4'-P energy: -40.980 tors. eta vs tors. theta energy: -80.091 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: 7 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1137.407886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.407886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.407886 (E_RNA) where: Base-Base interactions energy: -786.863 where: short stacking energy: -316.182 Base-Backbone interact. energy: -2.334 local terms energy: -348.211179 where: bonds (distance) C4'-P energy: -66.388 bonds (distance) P-C4' energy: -67.130 flat angles C4'-P-C4' energy: -79.832 flat angles P-C4'-P energy: -45.802 tors. eta vs tors. theta energy: -89.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1044.297374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.297374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.297374 (E_RNA) where: Base-Base interactions energy: -697.458 where: short stacking energy: -308.640 Base-Backbone interact. energy: -1.891 local terms energy: -344.948301 where: bonds (distance) C4'-P energy: -68.769 bonds (distance) P-C4' energy: -82.019 flat angles C4'-P-C4' energy: -73.490 flat angles P-C4'-P energy: -47.037 tors. eta vs tors. theta energy: -73.634 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: 5 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -708.162363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.162363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.162363 (E_RNA) where: Base-Base interactions energy: -436.372 where: short stacking energy: -215.683 Base-Backbone interact. energy: 4.871 local terms energy: -276.661607 where: bonds (distance) C4'-P energy: -60.279 bonds (distance) P-C4' energy: -58.469 flat angles C4'-P-C4' energy: -65.196 flat angles P-C4'-P energy: -52.305 tors. eta vs tors. theta energy: -40.413 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: 4 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -417.013806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.013806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.013806 (E_RNA) where: Base-Base interactions energy: -191.544 where: short stacking energy: -113.796 Base-Backbone interact. energy: 0.427 local terms energy: -225.896781 where: bonds (distance) C4'-P energy: -57.787 bonds (distance) P-C4' energy: -71.434 flat angles C4'-P-C4' energy: -63.888 flat angles P-C4'-P energy: -31.604 tors. eta vs tors. theta energy: -1.184 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: 3 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1588.681204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.681204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.681204 (E_RNA) where: Base-Base interactions energy: -1122.372 where: short stacking energy: -451.314 Base-Backbone interact. energy: -1.920 local terms energy: -464.389207 where: bonds (distance) C4'-P energy: -85.547 bonds (distance) P-C4' energy: -83.303 flat angles C4'-P-C4' energy: -101.372 flat angles P-C4'-P energy: -64.649 tors. eta vs tors. theta energy: -129.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1497.755889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.755889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.755889 (E_RNA) where: Base-Base interactions energy: -1038.176 where: short stacking energy: -443.393 Base-Backbone interact. energy: -1.491 local terms energy: -458.088939 where: bonds (distance) C4'-P energy: -90.402 bonds (distance) P-C4' energy: -93.976 flat angles C4'-P-C4' energy: -100.233 flat angles P-C4'-P energy: -51.215 tors. eta vs tors. theta energy: -122.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1451.420682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.420682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.420682 (E_RNA) where: Base-Base interactions energy: -1005.839 where: short stacking energy: -446.090 Base-Backbone interact. energy: 0.316 local terms energy: -445.898488 where: bonds (distance) C4'-P energy: -83.894 bonds (distance) P-C4' energy: -90.223 flat angles C4'-P-C4' energy: -93.609 flat angles P-C4'-P energy: -49.435 tors. eta vs tors. theta energy: -128.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1392.919438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.919438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.919438 (E_RNA) where: Base-Base interactions energy: -950.712 where: short stacking energy: -418.180 Base-Backbone interact. energy: -1.256 local terms energy: -440.950881 where: bonds (distance) C4'-P energy: -76.174 bonds (distance) P-C4' energy: -85.189 flat angles C4'-P-C4' energy: -101.261 flat angles P-C4'-P energy: -55.349 tors. eta vs tors. theta energy: -122.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -1309.311282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.311282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.311282 (E_RNA) where: Base-Base interactions energy: -914.778 where: short stacking energy: -395.823 Base-Backbone interact. energy: -1.585 local terms energy: -392.949034 where: bonds (distance) C4'-P energy: -70.086 bonds (distance) P-C4' energy: -80.958 flat angles C4'-P-C4' energy: -82.351 flat angles P-C4'-P energy: -56.405 tors. eta vs tors. theta energy: -103.148 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: 7 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1236.453951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.453951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.453951 (E_RNA) where: Base-Base interactions energy: -860.523 where: short stacking energy: -363.269 Base-Backbone interact. energy: 0.830 local terms energy: -376.760764 where: bonds (distance) C4'-P energy: -74.645 bonds (distance) P-C4' energy: -70.903 flat angles C4'-P-C4' energy: -90.914 flat angles P-C4'-P energy: -44.727 tors. eta vs tors. theta energy: -95.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1133.076035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.076035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.076035 (E_RNA) where: Base-Base interactions energy: -807.160 where: short stacking energy: -362.707 Base-Backbone interact. energy: 2.518 local terms energy: -328.434182 where: bonds (distance) C4'-P energy: -73.628 bonds (distance) P-C4' energy: -73.290 flat angles C4'-P-C4' energy: -60.255 flat angles P-C4'-P energy: -36.930 tors. eta vs tors. theta energy: -84.331 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: 10 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1087.258754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.258754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.258754 (E_RNA) where: Base-Base interactions energy: -721.846 where: short stacking energy: -330.398 Base-Backbone interact. energy: -2.048 local terms energy: -363.364803 where: bonds (distance) C4'-P energy: -74.853 bonds (distance) P-C4' energy: -69.880 flat angles C4'-P-C4' energy: -83.164 flat angles P-C4'-P energy: -44.180 tors. eta vs tors. theta energy: -91.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -702.260990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.260990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.260990 (E_RNA) where: Base-Base interactions energy: -435.020 where: short stacking energy: -207.796 Base-Backbone interact. energy: -2.595 local terms energy: -264.645677 where: bonds (distance) C4'-P energy: -66.375 bonds (distance) P-C4' energy: -76.209 flat angles C4'-P-C4' energy: -51.011 flat angles P-C4'-P energy: -45.913 tors. eta vs tors. theta energy: -25.137 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: 4 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -423.168845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.168845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.168845 (E_RNA) where: Base-Base interactions energy: -165.403 where: short stacking energy: -124.823 Base-Backbone interact. energy: -1.286 local terms energy: -256.479221 where: bonds (distance) C4'-P energy: -68.527 bonds (distance) P-C4' energy: -82.869 flat angles C4'-P-C4' energy: -67.297 flat angles P-C4'-P energy: -30.983 tors. eta vs tors. theta energy: -6.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1570.595678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.595678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.595678 (E_RNA) where: Base-Base interactions energy: -1105.197 where: short stacking energy: -452.850 Base-Backbone interact. energy: -0.256 local terms energy: -465.142567 where: bonds (distance) C4'-P energy: -84.926 bonds (distance) P-C4' energy: -88.770 flat angles C4'-P-C4' energy: -98.870 flat angles P-C4'-P energy: -66.250 tors. eta vs tors. theta energy: -126.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1495.792054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.792054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.792054 (E_RNA) where: Base-Base interactions energy: -1027.276 where: short stacking energy: -428.389 Base-Backbone interact. energy: 0.515 local terms energy: -469.031278 where: bonds (distance) C4'-P energy: -88.370 bonds (distance) P-C4' energy: -89.819 flat angles C4'-P-C4' energy: -99.101 flat angles P-C4'-P energy: -63.775 tors. eta vs tors. theta energy: -127.966 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: 3, replica: 9 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1456.518239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.518239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.518239 (E_RNA) where: Base-Base interactions energy: -1016.267 where: short stacking energy: -454.616 Base-Backbone interact. energy: -1.496 local terms energy: -438.755396 where: bonds (distance) C4'-P energy: -80.224 bonds (distance) P-C4' energy: -75.875 flat angles C4'-P-C4' energy: -97.390 flat angles P-C4'-P energy: -63.531 tors. eta vs tors. theta energy: -121.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1419.726089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.726089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.726089 (E_RNA) where: Base-Base interactions energy: -997.254 where: short stacking energy: -479.004 Base-Backbone interact. energy: 0.110 local terms energy: -422.581692 where: bonds (distance) C4'-P energy: -68.971 bonds (distance) P-C4' energy: -73.794 flat angles C4'-P-C4' energy: -92.643 flat angles P-C4'-P energy: -58.797 tors. eta vs tors. theta energy: -128.377 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: 5, replica: 6 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -1305.717700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.717700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.717700 (E_RNA) where: Base-Base interactions energy: -916.474 where: short stacking energy: -395.582 Base-Backbone interact. energy: -0.928 local terms energy: -388.315932 where: bonds (distance) C4'-P energy: -53.648 bonds (distance) P-C4' energy: -83.968 flat angles C4'-P-C4' energy: -93.610 flat angles P-C4'-P energy: -48.050 tors. eta vs tors. theta energy: -109.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1229.778841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.778841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.778841 (E_RNA) where: Base-Base interactions energy: -849.586 where: short stacking energy: -364.471 Base-Backbone interact. energy: -1.946 local terms energy: -378.246266 where: bonds (distance) C4'-P energy: -72.410 bonds (distance) P-C4' energy: -72.119 flat angles C4'-P-C4' energy: -82.283 flat angles P-C4'-P energy: -56.882 tors. eta vs tors. theta energy: -94.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1112.188258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.188258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.188258 (E_RNA) where: Base-Base interactions energy: -742.546 where: short stacking energy: -334.248 Base-Backbone interact. energy: -1.899 local terms energy: -367.742833 where: bonds (distance) C4'-P energy: -70.138 bonds (distance) P-C4' energy: -75.455 flat angles C4'-P-C4' energy: -83.598 flat angles P-C4'-P energy: -45.281 tors. eta vs tors. theta energy: -93.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1094.749747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.749747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.749747 (E_RNA) where: Base-Base interactions energy: -759.410 where: short stacking energy: -333.872 Base-Backbone interact. energy: -1.778 local terms energy: -333.561430 where: bonds (distance) C4'-P energy: -82.698 bonds (distance) P-C4' energy: -60.953 flat angles C4'-P-C4' energy: -73.017 flat angles P-C4'-P energy: -44.970 tors. eta vs tors. theta energy: -71.923 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: 5 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -673.201588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.201588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.201588 (E_RNA) where: Base-Base interactions energy: -397.231 where: short stacking energy: -197.892 Base-Backbone interact. energy: 5.261 local terms energy: -281.231399 where: bonds (distance) C4'-P energy: -73.220 bonds (distance) P-C4' energy: -62.937 flat angles C4'-P-C4' energy: -72.873 flat angles P-C4'-P energy: -42.294 tors. eta vs tors. theta energy: -29.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -441.342464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.342464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.342464 (E_RNA) where: Base-Base interactions energy: -214.987 where: short stacking energy: -132.673 Base-Backbone interact. energy: 1.245 local terms energy: -227.600614 where: bonds (distance) C4'-P energy: -61.469 bonds (distance) P-C4' energy: -69.333 flat angles C4'-P-C4' energy: -61.065 flat angles P-C4'-P energy: -39.319 tors. eta vs tors. theta energy: 3.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1574.892820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.892820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.892820 (E_RNA) where: Base-Base interactions energy: -1110.669 where: short stacking energy: -443.248 Base-Backbone interact. energy: -2.658 local terms energy: -461.565770 where: bonds (distance) C4'-P energy: -86.015 bonds (distance) P-C4' energy: -82.729 flat angles C4'-P-C4' energy: -100.172 flat angles P-C4'-P energy: -70.779 tors. eta vs tors. theta energy: -121.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1493.085665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.085665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.085665 (E_RNA) where: Base-Base interactions energy: -1042.983 where: short stacking energy: -452.538 Base-Backbone interact. energy: -0.586 local terms energy: -449.517133 where: bonds (distance) C4'-P energy: -82.181 bonds (distance) P-C4' energy: -93.224 flat angles C4'-P-C4' energy: -90.521 flat angles P-C4'-P energy: -62.362 tors. eta vs tors. theta energy: -121.230 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: 327 Temperature: 1.000000 Total energy: -1464.187372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.187372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.187372 (E_RNA) where: Base-Base interactions energy: -1034.237 where: short stacking energy: -430.373 Base-Backbone interact. energy: 0.922 local terms energy: -430.872371 where: bonds (distance) C4'-P energy: -78.355 bonds (distance) P-C4' energy: -83.122 flat angles C4'-P-C4' energy: -90.596 flat angles P-C4'-P energy: -63.196 tors. eta vs tors. theta energy: -115.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1421.686501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.686501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.686501 (E_RNA) where: Base-Base interactions energy: -1000.792 where: short stacking energy: -443.475 Base-Backbone interact. energy: 2.916 local terms energy: -423.810362 where: bonds (distance) C4'-P energy: -68.515 bonds (distance) P-C4' energy: -76.202 flat angles C4'-P-C4' energy: -89.523 flat angles P-C4'-P energy: -64.712 tors. eta vs tors. theta energy: -124.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -1275.862023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.862023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.862023 (E_RNA) where: Base-Base interactions energy: -880.851 where: short stacking energy: -367.483 Base-Backbone interact. energy: -1.083 local terms energy: -393.927526 where: bonds (distance) C4'-P energy: -79.860 bonds (distance) P-C4' energy: -81.426 flat angles C4'-P-C4' energy: -81.696 flat angles P-C4'-P energy: -55.032 tors. eta vs tors. theta energy: -95.912 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: 6, replica: 7 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1249.367163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.367163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.367163 (E_RNA) where: Base-Base interactions energy: -852.734 where: short stacking energy: -348.991 Base-Backbone interact. energy: -2.597 local terms energy: -394.035839 where: bonds (distance) C4'-P energy: -69.067 bonds (distance) P-C4' energy: -82.042 flat angles C4'-P-C4' energy: -86.456 flat angles P-C4'-P energy: -49.369 tors. eta vs tors. theta energy: -107.102 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: 7, replica: 10 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1144.847358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.847358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.847358 (E_RNA) where: Base-Base interactions energy: -771.385 where: short stacking energy: -365.623 Base-Backbone interact. energy: -1.040 local terms energy: -372.422876 where: bonds (distance) C4'-P energy: -70.559 bonds (distance) P-C4' energy: -69.787 flat angles C4'-P-C4' energy: -79.667 flat angles P-C4'-P energy: -62.730 tors. eta vs tors. theta energy: -89.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1021.413719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.413719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.413719 (E_RNA) where: Base-Base interactions energy: -694.036 where: short stacking energy: -294.711 Base-Backbone interact. energy: -1.162 local terms energy: -326.215603 where: bonds (distance) C4'-P energy: -67.549 bonds (distance) P-C4' energy: -68.668 flat angles C4'-P-C4' energy: -78.285 flat angles P-C4'-P energy: -53.252 tors. eta vs tors. theta energy: -58.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -669.520252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.520252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.520252 (E_RNA) where: Base-Base interactions energy: -408.778 where: short stacking energy: -188.441 Base-Backbone interact. energy: -1.295 local terms energy: -259.447447 where: bonds (distance) C4'-P energy: -61.187 bonds (distance) P-C4' energy: -79.340 flat angles C4'-P-C4' energy: -61.187 flat angles P-C4'-P energy: -36.279 tors. eta vs tors. theta energy: -21.454 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: 4 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -449.370195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.370195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.370195 (E_RNA) where: Base-Base interactions energy: -214.265 where: short stacking energy: -121.358 Base-Backbone interact. energy: -0.710 local terms energy: -234.395275 where: bonds (distance) C4'-P energy: -54.493 bonds (distance) P-C4' energy: -71.258 flat angles C4'-P-C4' energy: -70.883 flat angles P-C4'-P energy: -39.571 tors. eta vs tors. theta energy: 1.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1567.483476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.483476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.483476 (E_RNA) where: Base-Base interactions energy: -1116.689 where: short stacking energy: -439.434 Base-Backbone interact. energy: -2.097 local terms energy: -448.697983 where: bonds (distance) C4'-P energy: -83.218 bonds (distance) P-C4' energy: -81.098 flat angles C4'-P-C4' energy: -93.592 flat angles P-C4'-P energy: -64.416 tors. eta vs tors. theta energy: -126.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1459.956621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.956621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.956621 (E_RNA) where: Base-Base interactions energy: -1012.923 where: short stacking energy: -433.196 Base-Backbone interact. energy: 0.759 local terms energy: -447.792486 where: bonds (distance) C4'-P energy: -79.940 bonds (distance) P-C4' energy: -89.569 flat angles C4'-P-C4' energy: -93.595 flat angles P-C4'-P energy: -62.832 tors. eta vs tors. theta energy: -121.857 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: 2 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1479.132346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.132346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.132346 (E_RNA) where: Base-Base interactions energy: -1044.612 where: short stacking energy: -440.662 Base-Backbone interact. energy: -0.662 local terms energy: -433.858473 where: bonds (distance) C4'-P energy: -70.306 bonds (distance) P-C4' energy: -86.059 flat angles C4'-P-C4' energy: -99.151 flat angles P-C4'-P energy: -53.243 tors. eta vs tors. theta energy: -125.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1390.243860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.243860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.243860 (E_RNA) where: Base-Base interactions energy: -967.648 where: short stacking energy: -419.180 Base-Backbone interact. energy: -1.523 local terms energy: -421.072656 where: bonds (distance) C4'-P energy: -79.691 bonds (distance) P-C4' energy: -79.273 flat angles C4'-P-C4' energy: -79.744 flat angles P-C4'-P energy: -58.722 tors. eta vs tors. theta energy: -123.643 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: 7 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -1270.965936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.965936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.965936 (E_RNA) where: Base-Base interactions energy: -874.837 where: short stacking energy: -390.324 Base-Backbone interact. energy: -1.327 local terms energy: -394.802605 where: bonds (distance) C4'-P energy: -80.547 bonds (distance) P-C4' energy: -78.669 flat angles C4'-P-C4' energy: -84.990 flat angles P-C4'-P energy: -47.015 tors. eta vs tors. theta energy: -103.581 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: 6 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1242.720221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.720221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.720221 (E_RNA) where: Base-Base interactions energy: -849.826 where: short stacking energy: -346.087 Base-Backbone interact. energy: 1.314 local terms energy: -394.208768 where: bonds (distance) C4'-P energy: -73.469 bonds (distance) P-C4' energy: -75.569 flat angles C4'-P-C4' energy: -91.248 flat angles P-C4'-P energy: -57.637 tors. eta vs tors. theta energy: -96.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1148.317929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.317929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.317929 (E_RNA) where: Base-Base interactions energy: -750.292 where: short stacking energy: -342.641 Base-Backbone interact. energy: -0.873 local terms energy: -397.153151 where: bonds (distance) C4'-P energy: -74.922 bonds (distance) P-C4' energy: -87.995 flat angles C4'-P-C4' energy: -79.762 flat angles P-C4'-P energy: -65.269 tors. eta vs tors. theta energy: -89.205 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: 8, replica: 1 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -998.218749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.218749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.218749 (E_RNA) where: Base-Base interactions energy: -675.290 where: short stacking energy: -297.191 Base-Backbone interact. energy: 1.599 local terms energy: -324.527919 where: bonds (distance) C4'-P energy: -79.472 bonds (distance) P-C4' energy: -69.696 flat angles C4'-P-C4' energy: -79.389 flat angles P-C4'-P energy: -43.723 tors. eta vs tors. theta energy: -52.248 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: 5 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -715.567968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.567968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.567968 (E_RNA) where: Base-Base interactions energy: -434.958 where: short stacking energy: -203.952 Base-Backbone interact. energy: -1.140 local terms energy: -279.470424 where: bonds (distance) C4'-P energy: -51.979 bonds (distance) P-C4' energy: -73.215 flat angles C4'-P-C4' energy: -74.608 flat angles P-C4'-P energy: -54.280 tors. eta vs tors. theta energy: -25.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -448.271819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.271819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.271819 (E_RNA) where: Base-Base interactions energy: -224.794 where: short stacking energy: -137.829 Base-Backbone interact. energy: -0.671 local terms energy: -222.807226 where: bonds (distance) C4'-P energy: -71.826 bonds (distance) P-C4' energy: -60.239 flat angles C4'-P-C4' energy: -65.662 flat angles P-C4'-P energy: -26.593 tors. eta vs tors. theta energy: 1.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1548.594310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.594310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.594310 (E_RNA) where: Base-Base interactions energy: -1105.593 where: short stacking energy: -412.036 Base-Backbone interact. energy: -2.781 local terms energy: -440.220879 where: bonds (distance) C4'-P energy: -83.581 bonds (distance) P-C4' energy: -86.415 flat angles C4'-P-C4' energy: -94.171 flat angles P-C4'-P energy: -58.610 tors. eta vs tors. theta energy: -117.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1478.755469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.755469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.755469 (E_RNA) where: Base-Base interactions energy: -1014.796 where: short stacking energy: -447.800 Base-Backbone interact. energy: -1.885 local terms energy: -462.074401 where: bonds (distance) C4'-P energy: -82.062 bonds (distance) P-C4' energy: -87.602 flat angles C4'-P-C4' energy: -102.708 flat angles P-C4'-P energy: -60.718 tors. eta vs tors. theta energy: -128.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1439.360452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.360452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.360452 (E_RNA) where: Base-Base interactions energy: -1008.234 where: short stacking energy: -431.477 Base-Backbone interact. energy: 0.231 local terms energy: -431.357121 where: bonds (distance) C4'-P energy: -79.632 bonds (distance) P-C4' energy: -71.748 flat angles C4'-P-C4' energy: -92.480 flat angles P-C4'-P energy: -68.546 tors. eta vs tors. theta energy: -118.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1427.645359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.645359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.645359 (E_RNA) where: Base-Base interactions energy: -1005.598 where: short stacking energy: -440.273 Base-Backbone interact. energy: -0.161 local terms energy: -421.886294 where: bonds (distance) C4'-P energy: -64.327 bonds (distance) P-C4' energy: -81.907 flat angles C4'-P-C4' energy: -92.800 flat angles P-C4'-P energy: -62.272 tors. eta vs tors. theta energy: -120.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -1266.927532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.927532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.927532 (E_RNA) where: Base-Base interactions energy: -870.646 where: short stacking energy: -365.583 Base-Backbone interact. energy: -0.522 local terms energy: -395.759272 where: bonds (distance) C4'-P energy: -73.214 bonds (distance) P-C4' energy: -80.708 flat angles C4'-P-C4' energy: -76.104 flat angles P-C4'-P energy: -55.083 tors. eta vs tors. theta energy: -110.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1220.121919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.121919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.121919 (E_RNA) where: Base-Base interactions energy: -852.492 where: short stacking energy: -368.449 Base-Backbone interact. energy: -2.332 local terms energy: -365.298585 where: bonds (distance) C4'-P energy: -56.956 bonds (distance) P-C4' energy: -68.386 flat angles C4'-P-C4' energy: -79.374 flat angles P-C4'-P energy: -55.674 tors. eta vs tors. theta energy: -104.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1124.234982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.234982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.234982 (E_RNA) where: Base-Base interactions energy: -760.309 where: short stacking energy: -323.971 Base-Backbone interact. energy: -2.551 local terms energy: -361.374521 where: bonds (distance) C4'-P energy: -65.342 bonds (distance) P-C4' energy: -76.385 flat angles C4'-P-C4' energy: -79.228 flat angles P-C4'-P energy: -54.820 tors. eta vs tors. theta energy: -85.599 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: 1 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -971.304107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.304107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.304107 (E_RNA) where: Base-Base interactions energy: -665.444 where: short stacking energy: -280.340 Base-Backbone interact. energy: -0.251 local terms energy: -305.608901 where: bonds (distance) C4'-P energy: -65.589 bonds (distance) P-C4' energy: -73.459 flat angles C4'-P-C4' energy: -75.718 flat angles P-C4'-P energy: -38.347 tors. eta vs tors. theta energy: -52.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -697.832605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.832605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.832605 (E_RNA) where: Base-Base interactions energy: -429.744 where: short stacking energy: -203.666 Base-Backbone interact. energy: -3.412 local terms energy: -264.676805 where: bonds (distance) C4'-P energy: -48.127 bonds (distance) P-C4' energy: -66.308 flat angles C4'-P-C4' energy: -90.877 flat angles P-C4'-P energy: -41.539 tors. eta vs tors. theta energy: -17.827 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: 4 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -439.012844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.012844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.012844 (E_RNA) where: Base-Base interactions energy: -220.611 where: short stacking energy: -138.692 Base-Backbone interact. energy: 0.921 local terms energy: -219.322902 where: bonds (distance) C4'-P energy: -69.768 bonds (distance) P-C4' energy: -63.315 flat angles C4'-P-C4' energy: -59.453 flat angles P-C4'-P energy: -32.593 tors. eta vs tors. theta energy: 5.807 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: 3 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1567.693123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.693123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.693123 (E_RNA) where: Base-Base interactions energy: -1124.882 where: short stacking energy: -438.733 Base-Backbone interact. energy: -1.896 local terms energy: -440.914637 where: bonds (distance) C4'-P energy: -87.982 bonds (distance) P-C4' energy: -77.530 flat angles C4'-P-C4' energy: -88.757 flat angles P-C4'-P energy: -69.663 tors. eta vs tors. theta energy: -116.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1489.403037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.403037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.403037 (E_RNA) where: Base-Base interactions energy: -1054.128 where: short stacking energy: -462.977 Base-Backbone interact. energy: 1.245 local terms energy: -436.519756 where: bonds (distance) C4'-P energy: -83.442 bonds (distance) P-C4' energy: -66.422 flat angles C4'-P-C4' energy: -92.865 flat angles P-C4'-P energy: -60.258 tors. eta vs tors. theta energy: -133.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1429.919737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.919737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.919737 (E_RNA) where: Base-Base interactions energy: -1008.932 where: short stacking energy: -441.045 Base-Backbone interact. energy: -2.049 local terms energy: -418.939269 where: bonds (distance) C4'-P energy: -71.132 bonds (distance) P-C4' energy: -77.949 flat angles C4'-P-C4' energy: -91.227 flat angles P-C4'-P energy: -58.847 tors. eta vs tors. theta energy: -119.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1383.156952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.156952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.156952 (E_RNA) where: Base-Base interactions energy: -985.762 where: short stacking energy: -432.545 Base-Backbone interact. energy: 1.776 local terms energy: -399.170967 where: bonds (distance) C4'-P energy: -76.087 bonds (distance) P-C4' energy: -71.566 flat angles C4'-P-C4' energy: -87.320 flat angles P-C4'-P energy: -54.686 tors. eta vs tors. theta energy: -109.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -1292.515733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.515733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.515733 (E_RNA) where: Base-Base interactions energy: -905.455 where: short stacking energy: -385.815 Base-Backbone interact. energy: 0.965 local terms energy: -388.025579 where: bonds (distance) C4'-P energy: -75.169 bonds (distance) P-C4' energy: -75.119 flat angles C4'-P-C4' energy: -88.260 flat angles P-C4'-P energy: -45.586 tors. eta vs tors. theta energy: -103.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1279.117955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.117955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.117955 (E_RNA) where: Base-Base interactions energy: -894.628 where: short stacking energy: -368.924 Base-Backbone interact. energy: 0.990 local terms energy: -385.479952 where: bonds (distance) C4'-P energy: -65.410 bonds (distance) P-C4' energy: -71.599 flat angles C4'-P-C4' energy: -87.627 flat angles P-C4'-P energy: -63.387 tors. eta vs tors. theta energy: -97.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1177.540232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.540232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.540232 (E_RNA) where: Base-Base interactions energy: -793.103 where: short stacking energy: -366.426 Base-Backbone interact. energy: -1.179 local terms energy: -383.258094 where: bonds (distance) C4'-P energy: -76.543 bonds (distance) P-C4' energy: -65.216 flat angles C4'-P-C4' energy: -82.383 flat angles P-C4'-P energy: -58.612 tors. eta vs tors. theta energy: -100.504 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: 1 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1018.856312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.856312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.856312 (E_RNA) where: Base-Base interactions energy: -705.339 where: short stacking energy: -308.050 Base-Backbone interact. energy: 0.542 local terms energy: -314.060088 where: bonds (distance) C4'-P energy: -76.344 bonds (distance) P-C4' energy: -64.886 flat angles C4'-P-C4' energy: -68.442 flat angles P-C4'-P energy: -35.894 tors. eta vs tors. theta energy: -68.494 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: 5 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -708.034702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.034702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.034702 (E_RNA) where: Base-Base interactions energy: -448.760 where: short stacking energy: -220.245 Base-Backbone interact. energy: 2.721 local terms energy: -261.996492 where: bonds (distance) C4'-P energy: -64.114 bonds (distance) P-C4' energy: -56.445 flat angles C4'-P-C4' energy: -72.174 flat angles P-C4'-P energy: -41.746 tors. eta vs tors. theta energy: -27.518 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: 4 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -422.354432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.354432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.354432 (E_RNA) where: Base-Base interactions energy: -190.443 where: short stacking energy: -131.284 Base-Backbone interact. energy: -1.368 local terms energy: -230.542624 where: bonds (distance) C4'-P energy: -79.971 bonds (distance) P-C4' energy: -67.525 flat angles C4'-P-C4' energy: -59.490 flat angles P-C4'-P energy: -32.470 tors. eta vs tors. theta energy: 8.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1586.695922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.695922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.695922 (E_RNA) where: Base-Base interactions energy: -1108.367 where: short stacking energy: -460.436 Base-Backbone interact. energy: -1.937 local terms energy: -476.392104 where: bonds (distance) C4'-P energy: -82.297 bonds (distance) P-C4' energy: -91.507 flat angles C4'-P-C4' energy: -100.363 flat angles P-C4'-P energy: -72.865 tors. eta vs tors. theta energy: -129.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1512.745529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.745529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.745529 (E_RNA) where: Base-Base interactions energy: -1081.880 where: short stacking energy: -469.765 Base-Backbone interact. energy: -0.735 local terms energy: -430.130508 where: bonds (distance) C4'-P energy: -74.393 bonds (distance) P-C4' energy: -59.737 flat angles C4'-P-C4' energy: -98.652 flat angles P-C4'-P energy: -67.247 tors. eta vs tors. theta energy: -130.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1434.558404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.558404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.558404 (E_RNA) where: Base-Base interactions energy: -1011.426 where: short stacking energy: -449.279 Base-Backbone interact. energy: 0.526 local terms energy: -423.658752 where: bonds (distance) C4'-P energy: -69.703 bonds (distance) P-C4' energy: -79.059 flat angles C4'-P-C4' energy: -90.312 flat angles P-C4'-P energy: -65.684 tors. eta vs tors. theta energy: -118.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1359.715522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.715522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.715522 (E_RNA) where: Base-Base interactions energy: -949.561 where: short stacking energy: -386.532 Base-Backbone interact. energy: -3.559 local terms energy: -406.595684 where: bonds (distance) C4'-P energy: -81.500 bonds (distance) P-C4' energy: -78.841 flat angles C4'-P-C4' energy: -90.015 flat angles P-C4'-P energy: -55.676 tors. eta vs tors. theta energy: -100.565 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: 7 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1308.541861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.541861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.541861 (E_RNA) where: Base-Base interactions energy: -906.660 where: short stacking energy: -396.110 Base-Backbone interact. energy: -4.277 local terms energy: -397.604750 where: bonds (distance) C4'-P energy: -76.623 bonds (distance) P-C4' energy: -74.107 flat angles C4'-P-C4' energy: -89.327 flat angles P-C4'-P energy: -51.413 tors. eta vs tors. theta energy: -106.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1243.857865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.857865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.857865 (E_RNA) where: Base-Base interactions energy: -866.761 where: short stacking energy: -362.280 Base-Backbone interact. energy: 1.417 local terms energy: -378.514348 where: bonds (distance) C4'-P energy: -67.557 bonds (distance) P-C4' energy: -73.066 flat angles C4'-P-C4' energy: -73.558 flat angles P-C4'-P energy: -62.561 tors. eta vs tors. theta energy: -101.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1128.942896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.942896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.942896 (E_RNA) where: Base-Base interactions energy: -763.766 where: short stacking energy: -312.677 Base-Backbone interact. energy: -1.621 local terms energy: -363.555085 where: bonds (distance) C4'-P energy: -71.219 bonds (distance) P-C4' energy: -80.333 flat angles C4'-P-C4' energy: -67.953 flat angles P-C4'-P energy: -58.935 tors. eta vs tors. theta energy: -85.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1033.254128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.254128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.254128 (E_RNA) where: Base-Base interactions energy: -715.361 where: short stacking energy: -302.678 Base-Backbone interact. energy: 0.916 local terms energy: -318.809837 where: bonds (distance) C4'-P energy: -61.803 bonds (distance) P-C4' energy: -77.537 flat angles C4'-P-C4' energy: -70.454 flat angles P-C4'-P energy: -45.522 tors. eta vs tors. theta energy: -63.494 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: 5 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -716.722368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.722368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.722368 (E_RNA) where: Base-Base interactions energy: -417.903 where: short stacking energy: -212.775 Base-Backbone interact. energy: -0.521 local terms energy: -298.298327 where: bonds (distance) C4'-P energy: -64.187 bonds (distance) P-C4' energy: -75.819 flat angles C4'-P-C4' energy: -73.613 flat angles P-C4'-P energy: -53.474 tors. eta vs tors. theta energy: -31.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -426.913706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.913706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.913706 (E_RNA) where: Base-Base interactions energy: -180.239 where: short stacking energy: -125.603 Base-Backbone interact. energy: -0.663 local terms energy: -246.011409 where: bonds (distance) C4'-P energy: -58.765 bonds (distance) P-C4' energy: -71.022 flat angles C4'-P-C4' energy: -68.613 flat angles P-C4'-P energy: -45.163 tors. eta vs tors. theta energy: -2.448 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: 1, replica: 3 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1575.936554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.936554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.936554 (E_RNA) where: Base-Base interactions energy: -1103.268 where: short stacking energy: -453.968 Base-Backbone interact. energy: -1.214 local terms energy: -471.454369 where: bonds (distance) C4'-P energy: -93.246 bonds (distance) P-C4' energy: -79.523 flat angles C4'-P-C4' energy: -96.320 flat angles P-C4'-P energy: -73.599 tors. eta vs tors. theta energy: -128.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1508.477340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.477340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.477340 (E_RNA) where: Base-Base interactions energy: -1054.490 where: short stacking energy: -456.640 Base-Backbone interact. energy: -2.127 local terms energy: -451.859779 where: bonds (distance) C4'-P energy: -78.131 bonds (distance) P-C4' energy: -84.762 flat angles C4'-P-C4' energy: -92.512 flat angles P-C4'-P energy: -67.442 tors. eta vs tors. theta energy: -129.013 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: 9 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1428.603143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.603143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.603143 (E_RNA) where: Base-Base interactions energy: -1006.558 where: short stacking energy: -420.877 Base-Backbone interact. energy: 0.040 local terms energy: -422.084955 where: bonds (distance) C4'-P energy: -80.921 bonds (distance) P-C4' energy: -66.658 flat angles C4'-P-C4' energy: -96.828 flat angles P-C4'-P energy: -68.941 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: 4, replica: 8 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1360.355389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.355389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.355389 (E_RNA) where: Base-Base interactions energy: -930.013 where: short stacking energy: -408.697 Base-Backbone interact. energy: -0.933 local terms energy: -429.409214 where: bonds (distance) C4'-P energy: -73.276 bonds (distance) P-C4' energy: -84.455 flat angles C4'-P-C4' energy: -92.509 flat angles P-C4'-P energy: -63.401 tors. eta vs tors. theta energy: -115.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1317.933161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.933161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.933161 (E_RNA) where: Base-Base interactions energy: -903.752 where: short stacking energy: -379.881 Base-Backbone interact. energy: 0.058 local terms energy: -414.239864 where: bonds (distance) C4'-P energy: -66.588 bonds (distance) P-C4' energy: -82.416 flat angles C4'-P-C4' energy: -95.653 flat angles P-C4'-P energy: -59.470 tors. eta vs tors. theta energy: -110.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1241.908905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.908905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.908905 (E_RNA) where: Base-Base interactions energy: -876.917 where: short stacking energy: -354.782 Base-Backbone interact. energy: -0.165 local terms energy: -364.827297 where: bonds (distance) C4'-P energy: -76.357 bonds (distance) P-C4' energy: -73.108 flat angles C4'-P-C4' energy: -77.256 flat angles P-C4'-P energy: -52.018 tors. eta vs tors. theta energy: -86.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1198.316646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.316646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.316646 (E_RNA) where: Base-Base interactions energy: -806.726 where: short stacking energy: -364.493 Base-Backbone interact. energy: 1.371 local terms energy: -392.962393 where: bonds (distance) C4'-P energy: -73.905 bonds (distance) P-C4' energy: -75.579 flat angles C4'-P-C4' energy: -85.799 flat angles P-C4'-P energy: -49.580 tors. eta vs tors. theta energy: -108.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1048.217575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.217575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.217575 (E_RNA) where: Base-Base interactions energy: -728.397 where: short stacking energy: -306.876 Base-Backbone interact. energy: -1.004 local terms energy: -318.816752 where: bonds (distance) C4'-P energy: -61.926 bonds (distance) P-C4' energy: -62.652 flat angles C4'-P-C4' energy: -79.766 flat angles P-C4'-P energy: -51.050 tors. eta vs tors. theta energy: -63.423 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: 5 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -709.949841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.949841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.949841 (E_RNA) where: Base-Base interactions energy: -395.609 where: short stacking energy: -206.584 Base-Backbone interact. energy: -0.641 local terms energy: -313.699879 where: bonds (distance) C4'-P energy: -81.979 bonds (distance) P-C4' energy: -78.577 flat angles C4'-P-C4' energy: -77.618 flat angles P-C4'-P energy: -39.210 tors. eta vs tors. theta energy: -36.316 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: 4 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -447.156008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.156008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.156008 (E_RNA) where: Base-Base interactions energy: -210.512 where: short stacking energy: -137.742 Base-Backbone interact. energy: -2.078 local terms energy: -234.565723 where: bonds (distance) C4'-P energy: -49.344 bonds (distance) P-C4' energy: -62.823 flat angles C4'-P-C4' energy: -64.077 flat angles P-C4'-P energy: -41.178 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: 1, replica: 3 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1588.630515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.630515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.630515 (E_RNA) where: Base-Base interactions energy: -1131.533 where: short stacking energy: -456.431 Base-Backbone interact. energy: -0.958 local terms energy: -456.139442 where: bonds (distance) C4'-P energy: -95.346 bonds (distance) P-C4' energy: -70.990 flat angles C4'-P-C4' energy: -92.527 flat angles P-C4'-P energy: -66.254 tors. eta vs tors. theta energy: -131.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1509.506435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.506435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.506435 (E_RNA) where: Base-Base interactions energy: -1060.828 where: short stacking energy: -456.956 Base-Backbone interact. energy: -0.459 local terms energy: -448.219572 where: bonds (distance) C4'-P energy: -72.443 bonds (distance) P-C4' energy: -85.639 flat angles C4'-P-C4' energy: -86.948 flat angles P-C4'-P energy: -63.035 tors. eta vs tors. theta energy: -140.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1464.489625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.489625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.489625 (E_RNA) where: Base-Base interactions energy: -1028.002 where: short stacking energy: -454.370 Base-Backbone interact. energy: -0.761 local terms energy: -435.727044 where: bonds (distance) C4'-P energy: -85.297 bonds (distance) P-C4' energy: -76.034 flat angles C4'-P-C4' energy: -84.260 flat angles P-C4'-P energy: -70.023 tors. eta vs tors. theta energy: -120.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1335.448220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.448220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.448220 (E_RNA) where: Base-Base interactions energy: -934.014 where: short stacking energy: -406.400 Base-Backbone interact. energy: 0.748 local terms energy: -402.181302 where: bonds (distance) C4'-P energy: -73.354 bonds (distance) P-C4' energy: -72.662 flat angles C4'-P-C4' energy: -90.600 flat angles P-C4'-P energy: -66.258 tors. eta vs tors. theta energy: -99.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -1322.498160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.498160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.498160 (E_RNA) where: Base-Base interactions energy: -913.490 where: short stacking energy: -386.082 Base-Backbone interact. energy: -1.176 local terms energy: -407.831880 where: bonds (distance) C4'-P energy: -79.179 bonds (distance) P-C4' energy: -88.354 flat angles C4'-P-C4' energy: -91.194 flat angles P-C4'-P energy: -44.616 tors. eta vs tors. theta energy: -104.489 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: 10 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1238.906088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.906088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.906088 (E_RNA) where: Base-Base interactions energy: -849.282 where: short stacking energy: -371.006 Base-Backbone interact. energy: -0.863 local terms energy: -388.760632 where: bonds (distance) C4'-P energy: -75.569 bonds (distance) P-C4' energy: -66.652 flat angles C4'-P-C4' energy: -78.412 flat angles P-C4'-P energy: -61.012 tors. eta vs tors. theta energy: -107.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1191.671091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.671091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.671091 (E_RNA) where: Base-Base interactions energy: -854.103 where: short stacking energy: -356.502 Base-Backbone interact. energy: -1.164 local terms energy: -336.404554 where: bonds (distance) C4'-P energy: -56.994 bonds (distance) P-C4' energy: -60.903 flat angles C4'-P-C4' energy: -82.801 flat angles P-C4'-P energy: -49.343 tors. eta vs tors. theta energy: -86.363 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: 1 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1044.922873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.922873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.922873 (E_RNA) where: Base-Base interactions energy: -700.713 where: short stacking energy: -300.303 Base-Backbone interact. energy: 1.158 local terms energy: -345.368096 where: bonds (distance) C4'-P energy: -68.341 bonds (distance) P-C4' energy: -74.667 flat angles C4'-P-C4' energy: -80.285 flat angles P-C4'-P energy: -50.900 tors. eta vs tors. theta energy: -71.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -726.557193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.557193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.557193 (E_RNA) where: Base-Base interactions energy: -428.687 where: short stacking energy: -234.938 Base-Backbone interact. energy: -1.623 local terms energy: -296.247122 where: bonds (distance) C4'-P energy: -78.715 bonds (distance) P-C4' energy: -60.579 flat angles C4'-P-C4' energy: -65.972 flat angles P-C4'-P energy: -40.838 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: 10, replica: 4 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -440.067321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.067321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.067321 (E_RNA) where: Base-Base interactions energy: -228.377 where: short stacking energy: -127.881 Base-Backbone interact. energy: -2.590 local terms energy: -209.100668 where: bonds (distance) C4'-P energy: -67.387 bonds (distance) P-C4' energy: -69.475 flat angles C4'-P-C4' energy: -56.705 flat angles P-C4'-P energy: -24.998 tors. eta vs tors. theta energy: 9.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1586.018772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.018772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.018772 (E_RNA) where: Base-Base interactions energy: -1128.685 where: short stacking energy: -441.470 Base-Backbone interact. energy: -1.830 local terms energy: -455.503784 where: bonds (distance) C4'-P energy: -84.340 bonds (distance) P-C4' energy: -86.541 flat angles C4'-P-C4' energy: -98.901 flat angles P-C4'-P energy: -64.797 tors. eta vs tors. theta energy: -120.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1503.913339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.913339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.913339 (E_RNA) where: Base-Base interactions energy: -1058.964 where: short stacking energy: -469.606 Base-Backbone interact. energy: 2.058 local terms energy: -447.007114 where: bonds (distance) C4'-P energy: -76.242 bonds (distance) P-C4' energy: -79.905 flat angles C4'-P-C4' energy: -100.342 flat angles P-C4'-P energy: -55.549 tors. eta vs tors. theta energy: -134.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1426.929508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.929508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.929508 (E_RNA) where: Base-Base interactions energy: -993.854 where: short stacking energy: -430.809 Base-Backbone interact. energy: -0.239 local terms energy: -432.836961 where: bonds (distance) C4'-P energy: -86.450 bonds (distance) P-C4' energy: -67.826 flat angles C4'-P-C4' energy: -90.385 flat angles P-C4'-P energy: -69.852 tors. eta vs tors. theta energy: -118.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1360.922279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.922279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.922279 (E_RNA) where: Base-Base interactions energy: -950.868 where: short stacking energy: -412.083 Base-Backbone interact. energy: 0.258 local terms energy: -410.311882 where: bonds (distance) C4'-P energy: -72.434 bonds (distance) P-C4' energy: -86.777 flat angles C4'-P-C4' energy: -88.720 flat angles P-C4'-P energy: -56.628 tors. eta vs tors. theta energy: -105.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1299.508958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.508958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.508958 (E_RNA) where: Base-Base interactions energy: -920.276 where: short stacking energy: -369.736 Base-Backbone interact. energy: -2.050 local terms energy: -377.183005 where: bonds (distance) C4'-P energy: -86.185 bonds (distance) P-C4' energy: -66.032 flat angles C4'-P-C4' energy: -76.527 flat angles P-C4'-P energy: -62.483 tors. eta vs tors. theta energy: -85.956 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: 6, replica: 10 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1270.181356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.181356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.181356 (E_RNA) where: Base-Base interactions energy: -864.975 where: short stacking energy: -407.935 Base-Backbone interact. energy: -0.658 local terms energy: -404.548871 where: bonds (distance) C4'-P energy: -64.161 bonds (distance) P-C4' energy: -73.018 flat angles C4'-P-C4' energy: -93.646 flat angles P-C4'-P energy: -58.640 tors. eta vs tors. theta energy: -115.083 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: 7, replica: 6 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1213.661231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.661231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.661231 (E_RNA) where: Base-Base interactions energy: -860.655 where: short stacking energy: -359.286 Base-Backbone interact. energy: -0.585 local terms energy: -352.421411 where: bonds (distance) C4'-P energy: -61.255 bonds (distance) P-C4' energy: -73.269 flat angles C4'-P-C4' energy: -82.695 flat angles P-C4'-P energy: -48.871 tors. eta vs tors. theta energy: -86.332 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: 1 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -979.562134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.562134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.562134 (E_RNA) where: Base-Base interactions energy: -665.739 where: short stacking energy: -296.594 Base-Backbone interact. energy: 1.301 local terms energy: -315.124722 where: bonds (distance) C4'-P energy: -62.826 bonds (distance) P-C4' energy: -60.532 flat angles C4'-P-C4' energy: -87.228 flat angles P-C4'-P energy: -41.835 tors. eta vs tors. theta energy: -62.704 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: 9, replica: 5 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -737.118448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.118448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.118448 (E_RNA) where: Base-Base interactions energy: -454.940 where: short stacking energy: -203.885 Base-Backbone interact. energy: 1.574 local terms energy: -283.752156 where: bonds (distance) C4'-P energy: -82.071 bonds (distance) P-C4' energy: -70.731 flat angles C4'-P-C4' energy: -57.685 flat angles P-C4'-P energy: -36.061 tors. eta vs tors. theta energy: -37.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -452.819483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.819483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.819483 (E_RNA) where: Base-Base interactions energy: -204.963 where: short stacking energy: -135.502 Base-Backbone interact. energy: -2.942 local terms energy: -244.914370 where: bonds (distance) C4'-P energy: -61.495 bonds (distance) P-C4' energy: -70.896 flat angles C4'-P-C4' energy: -66.655 flat angles P-C4'-P energy: -36.258 tors. eta vs tors. theta energy: -9.610 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: 3 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1573.072197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.072197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.072197 (E_RNA) where: Base-Base interactions energy: -1112.799 where: short stacking energy: -444.355 Base-Backbone interact. energy: -1.710 local terms energy: -458.563237 where: bonds (distance) C4'-P energy: -86.216 bonds (distance) P-C4' energy: -88.119 flat angles C4'-P-C4' energy: -91.074 flat angles P-C4'-P energy: -64.528 tors. eta vs tors. theta energy: -128.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1523.834783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.834783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.834783 (E_RNA) where: Base-Base interactions energy: -1064.857 where: short stacking energy: -465.402 Base-Backbone interact. energy: -0.343 local terms energy: -458.634374 where: bonds (distance) C4'-P energy: -82.641 bonds (distance) P-C4' energy: -76.265 flat angles C4'-P-C4' energy: -96.030 flat angles P-C4'-P energy: -73.651 tors. eta vs tors. theta energy: -130.048 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: 335 Temperature: 1.000000 Total energy: -1406.275847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.275847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.275847 (E_RNA) where: Base-Base interactions energy: -984.474 where: short stacking energy: -440.183 Base-Backbone interact. energy: -1.556 local terms energy: -420.246589 where: bonds (distance) C4'-P energy: -79.077 bonds (distance) P-C4' energy: -79.050 flat angles C4'-P-C4' energy: -85.953 flat angles P-C4'-P energy: -54.503 tors. eta vs tors. theta energy: -121.664 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: 8 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1336.265984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.265984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.265984 (E_RNA) where: Base-Base interactions energy: -932.837 where: short stacking energy: -403.237 Base-Backbone interact. energy: -1.530 local terms energy: -401.899301 where: bonds (distance) C4'-P energy: -62.566 bonds (distance) P-C4' energy: -76.927 flat angles C4'-P-C4' energy: -91.317 flat angles P-C4'-P energy: -58.796 tors. eta vs tors. theta energy: -112.293 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: 7 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1307.270032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.270032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.270032 (E_RNA) where: Base-Base interactions energy: -897.166 where: short stacking energy: -397.337 Base-Backbone interact. energy: -1.444 local terms energy: -408.659502 where: bonds (distance) C4'-P energy: -86.993 bonds (distance) P-C4' energy: -73.438 flat angles C4'-P-C4' energy: -95.063 flat angles P-C4'-P energy: -44.110 tors. eta vs tors. theta energy: -109.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1275.755938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.755938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.755938 (E_RNA) where: Base-Base interactions energy: -877.121 where: short stacking energy: -357.941 Base-Backbone interact. energy: 1.427 local terms energy: -400.061306 where: bonds (distance) C4'-P energy: -79.541 bonds (distance) P-C4' energy: -86.062 flat angles C4'-P-C4' energy: -79.609 flat angles P-C4'-P energy: -54.390 tors. eta vs tors. theta energy: -100.459 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: 10 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1177.847166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.847166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.847166 (E_RNA) where: Base-Base interactions energy: -795.654 where: short stacking energy: -360.538 Base-Backbone interact. energy: -0.334 local terms energy: -381.858794 where: bonds (distance) C4'-P energy: -76.515 bonds (distance) P-C4' energy: -58.634 flat angles C4'-P-C4' energy: -95.912 flat angles P-C4'-P energy: -53.093 tors. eta vs tors. theta energy: -97.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1016.129643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.129643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.129643 (E_RNA) where: Base-Base interactions energy: -681.126 where: short stacking energy: -300.792 Base-Backbone interact. energy: -0.410 local terms energy: -334.593929 where: bonds (distance) C4'-P energy: -72.190 bonds (distance) P-C4' energy: -64.854 flat angles C4'-P-C4' energy: -71.821 flat angles P-C4'-P energy: -46.531 tors. eta vs tors. theta energy: -79.197 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: 5 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -697.950050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.950050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.950050 (E_RNA) where: Base-Base interactions energy: -471.497 where: short stacking energy: -226.269 Base-Backbone interact. energy: -0.366 local terms energy: -226.086328 where: bonds (distance) C4'-P energy: -54.796 bonds (distance) P-C4' energy: -57.376 flat angles C4'-P-C4' energy: -60.868 flat angles P-C4'-P energy: -36.509 tors. eta vs tors. theta energy: -16.538 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: 4 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -401.747022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.747022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.747022 (E_RNA) where: Base-Base interactions energy: -159.613 where: short stacking energy: -111.716 Base-Backbone interact. energy: -1.648 local terms energy: -240.485536 where: bonds (distance) C4'-P energy: -64.234 bonds (distance) P-C4' energy: -69.499 flat angles C4'-P-C4' energy: -62.373 flat angles P-C4'-P energy: -45.973 tors. eta vs tors. theta energy: 1.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1534.797294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.797294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.797294 (E_RNA) where: Base-Base interactions energy: -1065.376 where: short stacking energy: -466.075 Base-Backbone interact. energy: -0.352 local terms energy: -469.069911 where: bonds (distance) C4'-P energy: -93.134 bonds (distance) P-C4' energy: -85.223 flat angles C4'-P-C4' energy: -99.026 flat angles P-C4'-P energy: -63.995 tors. eta vs tors. theta energy: -127.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1561.435925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.435925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.435925 (E_RNA) where: Base-Base interactions energy: -1118.742 where: short stacking energy: -441.320 Base-Backbone interact. energy: -0.771 local terms energy: -441.923681 where: bonds (distance) C4'-P energy: -75.181 bonds (distance) P-C4' energy: -81.149 flat angles C4'-P-C4' energy: -95.526 flat angles P-C4'-P energy: -71.069 tors. eta vs tors. theta energy: -118.999 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: 9 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1400.431890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.431890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.431890 (E_RNA) where: Base-Base interactions energy: -968.702 where: short stacking energy: -427.088 Base-Backbone interact. energy: -0.278 local terms energy: -431.451377 where: bonds (distance) C4'-P energy: -76.997 bonds (distance) P-C4' energy: -80.289 flat angles C4'-P-C4' energy: -91.524 flat angles P-C4'-P energy: -61.855 tors. eta vs tors. theta energy: -120.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1346.918992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.918992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.918992 (E_RNA) where: Base-Base interactions energy: -937.654 where: short stacking energy: -400.495 Base-Backbone interact. energy: 0.224 local terms energy: -409.488947 where: bonds (distance) C4'-P energy: -71.668 bonds (distance) P-C4' energy: -77.696 flat angles C4'-P-C4' energy: -93.067 flat angles P-C4'-P energy: -61.502 tors. eta vs tors. theta energy: -105.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -1312.465934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.465934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.465934 (E_RNA) where: Base-Base interactions energy: -923.108 where: short stacking energy: -376.273 Base-Backbone interact. energy: -1.553 local terms energy: -387.805072 where: bonds (distance) C4'-P energy: -55.775 bonds (distance) P-C4' energy: -85.985 flat angles C4'-P-C4' energy: -79.913 flat angles P-C4'-P energy: -59.213 tors. eta vs tors. theta energy: -106.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1281.026120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.026120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.026120 (E_RNA) where: Base-Base interactions energy: -900.757 where: short stacking energy: -401.825 Base-Backbone interact. energy: 0.798 local terms energy: -381.067048 where: bonds (distance) C4'-P energy: -68.298 bonds (distance) P-C4' energy: -72.378 flat angles C4'-P-C4' energy: -80.113 flat angles P-C4'-P energy: -58.747 tors. eta vs tors. theta energy: -101.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1135.036031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.036031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.036031 (E_RNA) where: Base-Base interactions energy: -764.201 where: short stacking energy: -328.445 Base-Backbone interact. energy: -1.978 local terms energy: -368.857489 where: bonds (distance) C4'-P energy: -71.773 bonds (distance) P-C4' energy: -92.055 flat angles C4'-P-C4' energy: -75.143 flat angles P-C4'-P energy: -47.097 tors. eta vs tors. theta energy: -82.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -987.100550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.100550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.100550 (E_RNA) where: Base-Base interactions energy: -669.202 where: short stacking energy: -279.065 Base-Backbone interact. energy: -0.352 local terms energy: -317.546285 where: bonds (distance) C4'-P energy: -71.130 bonds (distance) P-C4' energy: -72.183 flat angles C4'-P-C4' energy: -72.410 flat angles P-C4'-P energy: -50.160 tors. eta vs tors. theta energy: -51.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -790.111402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.111402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.111402 (E_RNA) where: Base-Base interactions energy: -503.624 where: short stacking energy: -239.175 Base-Backbone interact. energy: 0.008 local terms energy: -286.495844 where: bonds (distance) C4'-P energy: -63.758 bonds (distance) P-C4' energy: -67.531 flat angles C4'-P-C4' energy: -56.459 flat angles P-C4'-P energy: -42.707 tors. eta vs tors. theta energy: -56.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -425.575273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.575273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.575273 (E_RNA) where: Base-Base interactions energy: -168.680 where: short stacking energy: -100.262 Base-Backbone interact. energy: -0.501 local terms energy: -256.394425 where: bonds (distance) C4'-P energy: -76.229 bonds (distance) P-C4' energy: -78.288 flat angles C4'-P-C4' energy: -49.813 flat angles P-C4'-P energy: -54.197 tors. eta vs tors. theta energy: 2.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1536.877297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.877297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.877297 (E_RNA) where: Base-Base interactions energy: -1107.409 where: short stacking energy: -482.439 Base-Backbone interact. energy: -0.606 local terms energy: -428.861634 where: bonds (distance) C4'-P energy: -74.119 bonds (distance) P-C4' energy: -77.107 flat angles C4'-P-C4' energy: -94.030 flat angles P-C4'-P energy: -51.492 tors. eta vs tors. theta energy: -132.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1545.148479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.148479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.148479 (E_RNA) where: Base-Base interactions energy: -1103.502 where: short stacking energy: -442.934 Base-Backbone interact. energy: -0.472 local terms energy: -441.174734 where: bonds (distance) C4'-P energy: -78.421 bonds (distance) P-C4' energy: -76.916 flat angles C4'-P-C4' energy: -90.268 flat angles P-C4'-P energy: -67.507 tors. eta vs tors. theta energy: -128.063 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: 3, replica: 9 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1414.941912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.941912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.941912 (E_RNA) where: Base-Base interactions energy: -981.945 where: short stacking energy: -411.906 Base-Backbone interact. energy: -0.881 local terms energy: -432.116190 where: bonds (distance) C4'-P energy: -73.986 bonds (distance) P-C4' energy: -85.438 flat angles C4'-P-C4' energy: -97.444 flat angles P-C4'-P energy: -55.551 tors. eta vs tors. theta energy: -119.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1340.194648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.194648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.194648 (E_RNA) where: Base-Base interactions energy: -925.704 where: short stacking energy: -389.175 Base-Backbone interact. energy: 0.082 local terms energy: -414.572689 where: bonds (distance) C4'-P energy: -78.934 bonds (distance) P-C4' energy: -77.601 flat angles C4'-P-C4' energy: -93.590 flat angles P-C4'-P energy: -59.390 tors. eta vs tors. theta energy: -105.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1293.442213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.442213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.442213 (E_RNA) where: Base-Base interactions energy: -904.411 where: short stacking energy: -392.686 Base-Backbone interact. energy: -1.324 local terms energy: -387.706985 where: bonds (distance) C4'-P energy: -67.620 bonds (distance) P-C4' energy: -78.644 flat angles C4'-P-C4' energy: -89.126 flat angles P-C4'-P energy: -50.429 tors. eta vs tors. theta energy: -101.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1271.265226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.265226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.265226 (E_RNA) where: Base-Base interactions energy: -890.463 where: short stacking energy: -377.094 Base-Backbone interact. energy: -1.771 local terms energy: -379.030780 where: bonds (distance) C4'-P energy: -69.390 bonds (distance) P-C4' energy: -83.380 flat angles C4'-P-C4' energy: -80.547 flat angles P-C4'-P energy: -48.410 tors. eta vs tors. theta energy: -97.305 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: 10 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1091.823155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.823155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.823155 (E_RNA) where: Base-Base interactions energy: -750.327 where: short stacking energy: -346.149 Base-Backbone interact. energy: -0.196 local terms energy: -341.300039 where: bonds (distance) C4'-P energy: -60.578 bonds (distance) P-C4' energy: -72.711 flat angles C4'-P-C4' energy: -71.743 flat angles P-C4'-P energy: -52.024 tors. eta vs tors. theta energy: -84.245 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: 8, replica: 1 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1015.840344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.840344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.840344 (E_RNA) where: Base-Base interactions energy: -698.589 where: short stacking energy: -293.920 Base-Backbone interact. energy: 0.541 local terms energy: -317.792361 where: bonds (distance) C4'-P energy: -68.233 bonds (distance) P-C4' energy: -66.585 flat angles C4'-P-C4' energy: -80.295 flat angles P-C4'-P energy: -36.800 tors. eta vs tors. theta energy: -65.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -740.977569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.977569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.977569 (E_RNA) where: Base-Base interactions energy: -467.383 where: short stacking energy: -222.679 Base-Backbone interact. energy: -1.091 local terms energy: -272.504407 where: bonds (distance) C4'-P energy: -61.692 bonds (distance) P-C4' energy: -58.674 flat angles C4'-P-C4' energy: -66.221 flat angles P-C4'-P energy: -48.034 tors. eta vs tors. theta energy: -37.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -460.212423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.212423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.212423 (E_RNA) where: Base-Base interactions energy: -234.377 where: short stacking energy: -129.501 Base-Backbone interact. energy: 0.314 local terms energy: -226.148987 where: bonds (distance) C4'-P energy: -68.043 bonds (distance) P-C4' energy: -74.306 flat angles C4'-P-C4' energy: -51.482 flat angles P-C4'-P energy: -34.118 tors. eta vs tors. theta energy: 1.799 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: 2 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1547.264780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.264780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.264780 (E_RNA) where: Base-Base interactions energy: -1086.841 where: short stacking energy: -465.188 Base-Backbone interact. energy: 1.091 local terms energy: -461.514738 where: bonds (distance) C4'-P energy: -83.832 bonds (distance) P-C4' energy: -90.016 flat angles C4'-P-C4' energy: -100.544 flat angles P-C4'-P energy: -58.530 tors. eta vs tors. theta energy: -128.593 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: 3 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1555.815766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.815766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.815766 (E_RNA) where: Base-Base interactions energy: -1116.038 where: short stacking energy: -462.579 Base-Backbone interact. energy: -2.617 local terms energy: -437.161052 where: bonds (distance) C4'-P energy: -75.341 bonds (distance) P-C4' energy: -78.892 flat angles C4'-P-C4' energy: -91.631 flat angles P-C4'-P energy: -66.632 tors. eta vs tors. theta energy: -124.666 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: 338 Temperature: 1.000000 Total energy: -1425.435271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.435271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.435271 (E_RNA) where: Base-Base interactions energy: -983.576 where: short stacking energy: -439.511 Base-Backbone interact. energy: -3.337 local terms energy: -438.521839 where: bonds (distance) C4'-P energy: -82.486 bonds (distance) P-C4' energy: -86.902 flat angles C4'-P-C4' energy: -90.966 flat angles P-C4'-P energy: -61.301 tors. eta vs tors. theta energy: -116.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1324.485727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.485727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.485727 (E_RNA) where: Base-Base interactions energy: -926.975 where: short stacking energy: -397.113 Base-Backbone interact. energy: 0.450 local terms energy: -397.961029 where: bonds (distance) C4'-P energy: -70.736 bonds (distance) P-C4' energy: -74.509 flat angles C4'-P-C4' energy: -92.785 flat angles P-C4'-P energy: -52.987 tors. eta vs tors. theta energy: -106.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -1296.128813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.128813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.128813 (E_RNA) where: Base-Base interactions energy: -896.552 where: short stacking energy: -368.936 Base-Backbone interact. energy: -0.348 local terms energy: -399.229200 where: bonds (distance) C4'-P energy: -75.844 bonds (distance) P-C4' energy: -76.827 flat angles C4'-P-C4' energy: -92.282 flat angles P-C4'-P energy: -51.890 tors. eta vs tors. theta energy: -102.386 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: 338 Temperature: 1.150000 Total energy: -1289.727571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.727571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.727571 (E_RNA) where: Base-Base interactions energy: -909.166 where: short stacking energy: -391.833 Base-Backbone interact. energy: -1.692 local terms energy: -378.869962 where: bonds (distance) C4'-P energy: -68.685 bonds (distance) P-C4' energy: -65.654 flat angles C4'-P-C4' energy: -88.944 flat angles P-C4'-P energy: -48.835 tors. eta vs tors. theta energy: -106.752 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: 1 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1117.919238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.919238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.919238 (E_RNA) where: Base-Base interactions energy: -758.663 where: short stacking energy: -325.459 Base-Backbone interact. energy: -2.376 local terms energy: -356.881075 where: bonds (distance) C4'-P energy: -77.873 bonds (distance) P-C4' energy: -79.837 flat angles C4'-P-C4' energy: -72.451 flat angles P-C4'-P energy: -53.134 tors. eta vs tors. theta energy: -73.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1070.602216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.602216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.602216 (E_RNA) where: Base-Base interactions energy: -738.170 where: short stacking energy: -327.643 Base-Backbone interact. energy: -1.716 local terms energy: -330.716676 where: bonds (distance) C4'-P energy: -57.302 bonds (distance) P-C4' energy: -64.559 flat angles C4'-P-C4' energy: -78.205 flat angles P-C4'-P energy: -45.061 tors. eta vs tors. theta energy: -85.590 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: 5 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -696.641769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.641769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.641769 (E_RNA) where: Base-Base interactions energy: -417.311 where: short stacking energy: -212.560 Base-Backbone interact. energy: -1.453 local terms energy: -277.877842 where: bonds (distance) C4'-P energy: -69.354 bonds (distance) P-C4' energy: -73.024 flat angles C4'-P-C4' energy: -66.892 flat angles P-C4'-P energy: -38.006 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: 10, replica: 4 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -464.595252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.595252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.595252 (E_RNA) where: Base-Base interactions energy: -250.022 where: short stacking energy: -126.155 Base-Backbone interact. energy: 1.796 local terms energy: -216.369795 where: bonds (distance) C4'-P energy: -70.011 bonds (distance) P-C4' energy: -64.294 flat angles C4'-P-C4' energy: -67.602 flat angles P-C4'-P energy: -13.955 tors. eta vs tors. theta energy: -0.507 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: 2 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1530.978520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.978520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.978520 (E_RNA) where: Base-Base interactions energy: -1067.030 where: short stacking energy: -462.680 Base-Backbone interact. energy: -0.544 local terms energy: -463.404077 where: bonds (distance) C4'-P energy: -76.735 bonds (distance) P-C4' energy: -89.955 flat angles C4'-P-C4' energy: -96.478 flat angles P-C4'-P energy: -66.141 tors. eta vs tors. theta energy: -134.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1573.880391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.880391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.880391 (E_RNA) where: Base-Base interactions energy: -1128.488 where: short stacking energy: -432.603 Base-Backbone interact. energy: -1.474 local terms energy: -443.918545 where: bonds (distance) C4'-P energy: -92.132 bonds (distance) P-C4' energy: -80.679 flat angles C4'-P-C4' energy: -91.821 flat angles P-C4'-P energy: -59.425 tors. eta vs tors. theta energy: -119.862 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: 9 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1431.314732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.314732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.314732 (E_RNA) where: Base-Base interactions energy: -987.360 where: short stacking energy: -432.064 Base-Backbone interact. energy: -4.530 local terms energy: -439.424706 where: bonds (distance) C4'-P energy: -88.045 bonds (distance) P-C4' energy: -85.955 flat angles C4'-P-C4' energy: -91.245 flat angles P-C4'-P energy: -62.083 tors. eta vs tors. theta energy: -112.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1374.576161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.576161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.576161 (E_RNA) where: Base-Base interactions energy: -963.844 where: short stacking energy: -417.393 Base-Backbone interact. energy: -0.492 local terms energy: -410.239890 where: bonds (distance) C4'-P energy: -72.141 bonds (distance) P-C4' energy: -81.429 flat angles C4'-P-C4' energy: -85.785 flat angles P-C4'-P energy: -55.239 tors. eta vs tors. theta energy: -115.646 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: 7 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1309.984985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.984985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.984985 (E_RNA) where: Base-Base interactions energy: -904.218 where: short stacking energy: -406.915 Base-Backbone interact. energy: -1.638 local terms energy: -404.128599 where: bonds (distance) C4'-P energy: -69.456 bonds (distance) P-C4' energy: -81.946 flat angles C4'-P-C4' energy: -84.906 flat angles P-C4'-P energy: -53.942 tors. eta vs tors. theta energy: -113.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -1329.930454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.930454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.930454 (E_RNA) where: Base-Base interactions energy: -922.433 where: short stacking energy: -409.302 Base-Backbone interact. energy: -1.376 local terms energy: -406.121380 where: bonds (distance) C4'-P energy: -65.839 bonds (distance) P-C4' energy: -78.974 flat angles C4'-P-C4' energy: -84.024 flat angles P-C4'-P energy: -59.206 tors. eta vs tors. theta energy: -118.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1103.222959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.222959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.222959 (E_RNA) where: Base-Base interactions energy: -753.466 where: short stacking energy: -319.595 Base-Backbone interact. energy: 4.695 local terms energy: -354.452654 where: bonds (distance) C4'-P energy: -72.188 bonds (distance) P-C4' energy: -68.578 flat angles C4'-P-C4' energy: -81.886 flat angles P-C4'-P energy: -58.932 tors. eta vs tors. theta energy: -72.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1015.275755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.275755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.275755 (E_RNA) where: Base-Base interactions energy: -682.023 where: short stacking energy: -306.562 Base-Backbone interact. energy: -0.721 local terms energy: -332.531744 where: bonds (distance) C4'-P energy: -71.103 bonds (distance) P-C4' energy: -65.298 flat angles C4'-P-C4' energy: -80.184 flat angles P-C4'-P energy: -47.243 tors. eta vs tors. theta energy: -68.705 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: 9, replica: 5 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -710.231450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.231450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.231450 (E_RNA) where: Base-Base interactions energy: -440.960 where: short stacking energy: -220.205 Base-Backbone interact. energy: -1.610 local terms energy: -267.661304 where: bonds (distance) C4'-P energy: -66.440 bonds (distance) P-C4' energy: -80.858 flat angles C4'-P-C4' energy: -61.264 flat angles P-C4'-P energy: -32.441 tors. eta vs tors. theta energy: -26.658 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: 10, replica: 4 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -434.220109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.220109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.220109 (E_RNA) where: Base-Base interactions energy: -201.593 where: short stacking energy: -153.646 Base-Backbone interact. energy: 3.898 local terms energy: -236.524683 where: bonds (distance) C4'-P energy: -38.856 bonds (distance) P-C4' energy: -71.990 flat angles C4'-P-C4' energy: -71.546 flat angles P-C4'-P energy: -38.233 tors. eta vs tors. theta energy: -15.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1603.332003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.332003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.332003 (E_RNA) where: Base-Base interactions energy: -1133.106 where: short stacking energy: -460.456 Base-Backbone interact. energy: -1.725 local terms energy: -468.500319 where: bonds (distance) C4'-P energy: -91.898 bonds (distance) P-C4' energy: -87.683 flat angles C4'-P-C4' energy: -93.940 flat angles P-C4'-P energy: -69.291 tors. eta vs tors. theta energy: -125.688 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: 2 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1498.358458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.358458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.358458 (E_RNA) where: Base-Base interactions energy: -1041.956 where: short stacking energy: -444.297 Base-Backbone interact. energy: -1.572 local terms energy: -454.830544 where: bonds (distance) C4'-P energy: -77.963 bonds (distance) P-C4' energy: -90.433 flat angles C4'-P-C4' energy: -94.760 flat angles P-C4'-P energy: -59.455 tors. eta vs tors. theta energy: -132.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1442.099827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.099827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.099827 (E_RNA) where: Base-Base interactions energy: -1006.572 where: short stacking energy: -426.709 Base-Backbone interact. energy: -2.120 local terms energy: -433.407654 where: bonds (distance) C4'-P energy: -74.515 bonds (distance) P-C4' energy: -75.446 flat angles C4'-P-C4' energy: -90.195 flat angles P-C4'-P energy: -69.727 tors. eta vs tors. theta energy: -123.524 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: 6 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1341.304399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.304399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.304399 (E_RNA) where: Base-Base interactions energy: -945.918 where: short stacking energy: -385.507 Base-Backbone interact. energy: -0.648 local terms energy: -394.739112 where: bonds (distance) C4'-P energy: -66.690 bonds (distance) P-C4' energy: -82.598 flat angles C4'-P-C4' energy: -90.266 flat angles P-C4'-P energy: -54.638 tors. eta vs tors. theta energy: -100.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1360.599786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.599786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.599786 (E_RNA) where: Base-Base interactions energy: -947.820 where: short stacking energy: -416.701 Base-Backbone interact. energy: -0.683 local terms energy: -412.096151 where: bonds (distance) C4'-P energy: -64.592 bonds (distance) P-C4' energy: -72.948 flat angles C4'-P-C4' energy: -90.580 flat angles P-C4'-P energy: -67.425 tors. eta vs tors. theta energy: -116.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1257.111341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.111341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.111341 (E_RNA) where: Base-Base interactions energy: -858.492 where: short stacking energy: -379.454 Base-Backbone interact. energy: 0.947 local terms energy: -399.567030 where: bonds (distance) C4'-P energy: -73.720 bonds (distance) P-C4' energy: -82.692 flat angles C4'-P-C4' energy: -87.723 flat angles P-C4'-P energy: -49.647 tors. eta vs tors. theta energy: -105.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1111.735426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.735426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.735426 (E_RNA) where: Base-Base interactions energy: -742.916 where: short stacking energy: -329.078 Base-Backbone interact. energy: -0.643 local terms energy: -368.176555 where: bonds (distance) C4'-P energy: -66.952 bonds (distance) P-C4' energy: -79.960 flat angles C4'-P-C4' energy: -81.477 flat angles P-C4'-P energy: -51.174 tors. eta vs tors. theta energy: -88.613 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: 1 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1097.048908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.048908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.048908 (E_RNA) where: Base-Base interactions energy: -759.066 where: short stacking energy: -298.503 Base-Backbone interact. energy: 4.077 local terms energy: -342.059429 where: bonds (distance) C4'-P energy: -68.982 bonds (distance) P-C4' energy: -71.961 flat angles C4'-P-C4' energy: -77.900 flat angles P-C4'-P energy: -49.228 tors. eta vs tors. theta energy: -73.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -687.741754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.741754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.741754 (E_RNA) where: Base-Base interactions energy: -423.084 where: short stacking energy: -213.002 Base-Backbone interact. energy: 4.744 local terms energy: -269.401078 where: bonds (distance) C4'-P energy: -78.063 bonds (distance) P-C4' energy: -73.846 flat angles C4'-P-C4' energy: -51.876 flat angles P-C4'-P energy: -32.902 tors. eta vs tors. theta energy: -32.714 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: 10, replica: 4 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -498.232314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.232314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.232314 (E_RNA) where: Base-Base interactions energy: -281.661 where: short stacking energy: -158.033 Base-Backbone interact. energy: 1.225 local terms energy: -217.797259 where: bonds (distance) C4'-P energy: -54.793 bonds (distance) P-C4' energy: -67.914 flat angles C4'-P-C4' energy: -62.266 flat angles P-C4'-P energy: -28.479 tors. eta vs tors. theta energy: -4.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1580.665444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.665444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.665444 (E_RNA) where: Base-Base interactions energy: -1126.035 where: short stacking energy: -448.222 Base-Backbone interact. energy: -2.736 local terms energy: -451.894964 where: bonds (distance) C4'-P energy: -76.933 bonds (distance) P-C4' energy: -93.832 flat angles C4'-P-C4' energy: -93.752 flat angles P-C4'-P energy: -67.659 tors. eta vs tors. theta energy: -119.718 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: 2 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1498.010603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.010603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.010603 (E_RNA) where: Base-Base interactions energy: -1036.547 where: short stacking energy: -468.067 Base-Backbone interact. energy: -0.991 local terms energy: -460.472936 where: bonds (distance) C4'-P energy: -83.750 bonds (distance) P-C4' energy: -88.632 flat angles C4'-P-C4' energy: -92.155 flat angles P-C4'-P energy: -68.732 tors. eta vs tors. theta energy: -127.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1432.058716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.058716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.058716 (E_RNA) where: Base-Base interactions energy: -974.352 where: short stacking energy: -428.712 Base-Backbone interact. energy: -2.487 local terms energy: -455.219918 where: bonds (distance) C4'-P energy: -90.192 bonds (distance) P-C4' energy: -86.672 flat angles C4'-P-C4' energy: -92.434 flat angles P-C4'-P energy: -60.983 tors. eta vs tors. theta energy: -124.939 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: 8 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1403.169068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.169068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.169068 (E_RNA) where: Base-Base interactions energy: -973.479 where: short stacking energy: -429.969 Base-Backbone interact. energy: -1.208 local terms energy: -428.482121 where: bonds (distance) C4'-P energy: -69.833 bonds (distance) P-C4' energy: -85.881 flat angles C4'-P-C4' energy: -91.993 flat angles P-C4'-P energy: -49.945 tors. eta vs tors. theta energy: -130.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1306.891096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.891096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.891096 (E_RNA) where: Base-Base interactions energy: -917.879 where: short stacking energy: -374.679 Base-Backbone interact. energy: -2.030 local terms energy: -386.982171 where: bonds (distance) C4'-P energy: -79.958 bonds (distance) P-C4' energy: -83.143 flat angles C4'-P-C4' energy: -79.378 flat angles P-C4'-P energy: -48.756 tors. eta vs tors. theta energy: -95.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1244.169130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.169130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.169130 (E_RNA) where: Base-Base interactions energy: -852.562 where: short stacking energy: -369.917 Base-Backbone interact. energy: 3.835 local terms energy: -395.442496 where: bonds (distance) C4'-P energy: -75.654 bonds (distance) P-C4' energy: -75.856 flat angles C4'-P-C4' energy: -85.616 flat angles P-C4'-P energy: -54.231 tors. eta vs tors. theta energy: -104.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1159.750354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.750354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.750354 (E_RNA) where: Base-Base interactions energy: -799.677 where: short stacking energy: -345.353 Base-Backbone interact. energy: -2.529 local terms energy: -357.544107 where: bonds (distance) C4'-P energy: -65.150 bonds (distance) P-C4' energy: -83.667 flat angles C4'-P-C4' energy: -75.299 flat angles P-C4'-P energy: -55.537 tors. eta vs tors. theta energy: -77.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1129.851504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.851504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.851504 (E_RNA) where: Base-Base interactions energy: -765.827 where: short stacking energy: -313.833 Base-Backbone interact. energy: -1.922 local terms energy: -362.102435 where: bonds (distance) C4'-P energy: -70.527 bonds (distance) P-C4' energy: -77.766 flat angles C4'-P-C4' energy: -93.601 flat angles P-C4'-P energy: -41.754 tors. eta vs tors. theta energy: -78.454 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: 5 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -688.084001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.084001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.084001 (E_RNA) where: Base-Base interactions energy: -408.791 where: short stacking energy: -212.573 Base-Backbone interact. energy: -0.885 local terms energy: -278.407999 where: bonds (distance) C4'-P energy: -71.120 bonds (distance) P-C4' energy: -64.993 flat angles C4'-P-C4' energy: -59.867 flat angles P-C4'-P energy: -39.370 tors. eta vs tors. theta energy: -43.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -448.794661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.794661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.794661 (E_RNA) where: Base-Base interactions energy: -224.353 where: short stacking energy: -130.722 Base-Backbone interact. energy: 2.097 local terms energy: -226.538588 where: bonds (distance) C4'-P energy: -53.853 bonds (distance) P-C4' energy: -82.649 flat angles C4'-P-C4' energy: -61.000 flat angles P-C4'-P energy: -41.988 tors. eta vs tors. theta energy: 12.951 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: 3 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1564.255251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.255251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.255251 (E_RNA) where: Base-Base interactions energy: -1108.352 where: short stacking energy: -443.232 Base-Backbone interact. energy: -1.485 local terms energy: -454.418058 where: bonds (distance) C4'-P energy: -82.133 bonds (distance) P-C4' energy: -89.232 flat angles C4'-P-C4' energy: -95.005 flat angles P-C4'-P energy: -61.009 tors. eta vs tors. theta energy: -127.039 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: 2 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1503.574104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.574104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.574104 (E_RNA) where: Base-Base interactions energy: -1057.762 where: short stacking energy: -471.880 Base-Backbone interact. energy: -0.874 local terms energy: -444.937952 where: bonds (distance) C4'-P energy: -79.219 bonds (distance) P-C4' energy: -79.491 flat angles C4'-P-C4' energy: -96.886 flat angles P-C4'-P energy: -60.443 tors. eta vs tors. theta energy: -128.899 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: 8 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1461.166537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.166537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.166537 (E_RNA) where: Base-Base interactions energy: -1014.159 where: short stacking energy: -456.234 Base-Backbone interact. energy: -1.616 local terms energy: -445.391804 where: bonds (distance) C4'-P energy: -81.485 bonds (distance) P-C4' energy: -84.259 flat angles C4'-P-C4' energy: -99.593 flat angles P-C4'-P energy: -56.782 tors. eta vs tors. theta energy: -123.273 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: 9 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1383.780318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.780318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.780318 (E_RNA) where: Base-Base interactions energy: -952.090 where: short stacking energy: -418.883 Base-Backbone interact. energy: -1.177 local terms energy: -430.513269 where: bonds (distance) C4'-P energy: -65.331 bonds (distance) P-C4' energy: -93.151 flat angles C4'-P-C4' energy: -98.762 flat angles P-C4'-P energy: -61.511 tors. eta vs tors. theta energy: -111.759 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: 6 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1366.524591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.524591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.524591 (E_RNA) where: Base-Base interactions energy: -953.085 where: short stacking energy: -398.456 Base-Backbone interact. energy: 0.771 local terms energy: -414.210352 where: bonds (distance) C4'-P energy: -82.377 bonds (distance) P-C4' energy: -79.033 flat angles C4'-P-C4' energy: -93.835 flat angles P-C4'-P energy: -47.589 tors. eta vs tors. theta energy: -111.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1201.966066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.966066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.966066 (E_RNA) where: Base-Base interactions energy: -810.936 where: short stacking energy: -365.985 Base-Backbone interact. energy: -1.530 local terms energy: -389.500015 where: bonds (distance) C4'-P energy: -65.963 bonds (distance) P-C4' energy: -81.970 flat angles C4'-P-C4' energy: -81.739 flat angles P-C4'-P energy: -60.289 tors. eta vs tors. theta energy: -99.539 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: 1 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1136.411582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.411582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.411582 (E_RNA) where: Base-Base interactions energy: -785.302 where: short stacking energy: -339.627 Base-Backbone interact. energy: -0.349 local terms energy: -350.760739 where: bonds (distance) C4'-P energy: -69.977 bonds (distance) P-C4' energy: -63.319 flat angles C4'-P-C4' energy: -90.959 flat angles P-C4'-P energy: -49.979 tors. eta vs tors. theta energy: -76.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1168.103444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.103444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.103444 (E_RNA) where: Base-Base interactions energy: -789.788 where: short stacking energy: -357.152 Base-Backbone interact. energy: 0.611 local terms energy: -378.926881 where: bonds (distance) C4'-P energy: -65.007 bonds (distance) P-C4' energy: -74.379 flat angles C4'-P-C4' energy: -88.578 flat angles P-C4'-P energy: -56.295 tors. eta vs tors. theta energy: -94.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -704.351286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.351286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.351286 (E_RNA) where: Base-Base interactions energy: -429.565 where: short stacking energy: -216.145 Base-Backbone interact. energy: 1.526 local terms energy: -276.312109 where: bonds (distance) C4'-P energy: -58.789 bonds (distance) P-C4' energy: -69.645 flat angles C4'-P-C4' energy: -65.767 flat angles P-C4'-P energy: -49.555 tors. eta vs tors. theta energy: -32.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -515.467937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.467937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.467937 (E_RNA) where: Base-Base interactions energy: -273.266 where: short stacking energy: -138.354 Base-Backbone interact. energy: -2.141 local terms energy: -240.060309 where: bonds (distance) C4'-P energy: -58.726 bonds (distance) P-C4' energy: -69.462 flat angles C4'-P-C4' energy: -70.417 flat angles P-C4'-P energy: -39.257 tors. eta vs tors. theta energy: -2.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1564.918466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.918466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.918466 (E_RNA) where: Base-Base interactions energy: -1112.709 where: short stacking energy: -446.816 Base-Backbone interact. energy: -1.747 local terms energy: -450.461779 where: bonds (distance) C4'-P energy: -80.727 bonds (distance) P-C4' energy: -85.225 flat angles C4'-P-C4' energy: -97.018 flat angles P-C4'-P energy: -63.191 tors. eta vs tors. theta energy: -124.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1498.751502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.751502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.751502 (E_RNA) where: Base-Base interactions energy: -1037.099 where: short stacking energy: -463.567 Base-Backbone interact. energy: -0.821 local terms energy: -460.831536 where: bonds (distance) C4'-P energy: -80.707 bonds (distance) P-C4' energy: -81.567 flat angles C4'-P-C4' energy: -95.230 flat angles P-C4'-P energy: -69.402 tors. eta vs tors. theta energy: -133.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1444.150462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.150462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.150462 (E_RNA) where: Base-Base interactions energy: -1023.811 where: short stacking energy: -453.379 Base-Backbone interact. energy: -2.372 local terms energy: -417.968051 where: bonds (distance) C4'-P energy: -77.733 bonds (distance) P-C4' energy: -79.176 flat angles C4'-P-C4' energy: -98.777 flat angles P-C4'-P energy: -49.135 tors. eta vs tors. theta energy: -113.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1399.135001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.135001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.135001 (E_RNA) where: Base-Base interactions energy: -968.361 where: short stacking energy: -422.678 Base-Backbone interact. energy: -1.974 local terms energy: -428.799943 where: bonds (distance) C4'-P energy: -71.507 bonds (distance) P-C4' energy: -77.207 flat angles C4'-P-C4' energy: -93.138 flat angles P-C4'-P energy: -66.637 tors. eta vs tors. theta energy: -120.311 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: 6 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -1336.331638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.331638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.331638 (E_RNA) where: Base-Base interactions energy: -931.235 where: short stacking energy: -401.266 Base-Backbone interact. energy: -0.076 local terms energy: -405.020746 where: bonds (distance) C4'-P energy: -81.679 bonds (distance) P-C4' energy: -75.863 flat angles C4'-P-C4' energy: -81.972 flat angles P-C4'-P energy: -59.712 tors. eta vs tors. theta energy: -105.794 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: 6, replica: 1 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1178.285795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.285795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.285795 (E_RNA) where: Base-Base interactions energy: -808.148 where: short stacking energy: -331.301 Base-Backbone interact. energy: 2.549 local terms energy: -372.686272 where: bonds (distance) C4'-P energy: -75.383 bonds (distance) P-C4' energy: -83.619 flat angles C4'-P-C4' energy: -73.564 flat angles P-C4'-P energy: -51.639 tors. eta vs tors. theta energy: -88.481 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: 7 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1142.583766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.583766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.583766 (E_RNA) where: Base-Base interactions energy: -802.555 where: short stacking energy: -359.672 Base-Backbone interact. energy: -1.143 local terms energy: -338.884977 where: bonds (distance) C4'-P energy: -66.471 bonds (distance) P-C4' energy: -63.254 flat angles C4'-P-C4' energy: -76.757 flat angles P-C4'-P energy: -43.898 tors. eta vs tors. theta energy: -88.506 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: 10 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1144.139429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.139429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.139429 (E_RNA) where: Base-Base interactions energy: -787.848 where: short stacking energy: -330.524 Base-Backbone interact. energy: -1.467 local terms energy: -354.824553 where: bonds (distance) C4'-P energy: -73.222 bonds (distance) P-C4' energy: -75.666 flat angles C4'-P-C4' energy: -69.490 flat angles P-C4'-P energy: -48.657 tors. eta vs tors. theta energy: -87.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -710.172451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.172451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.172451 (E_RNA) where: Base-Base interactions energy: -427.133 where: short stacking energy: -212.383 Base-Backbone interact. energy: -0.741 local terms energy: -282.298281 where: bonds (distance) C4'-P energy: -71.206 bonds (distance) P-C4' energy: -73.208 flat angles C4'-P-C4' energy: -64.730 flat angles P-C4'-P energy: -31.064 tors. eta vs tors. theta energy: -42.090 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: 4 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -426.163691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.163691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.163691 (E_RNA) where: Base-Base interactions energy: -206.584 where: short stacking energy: -123.442 Base-Backbone interact. energy: -1.230 local terms energy: -218.350012 where: bonds (distance) C4'-P energy: -70.650 bonds (distance) P-C4' energy: -55.163 flat angles C4'-P-C4' energy: -49.189 flat angles P-C4'-P energy: -42.543 tors. eta vs tors. theta energy: -0.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1538.009449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.009449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.009449 (E_RNA) where: Base-Base interactions energy: -1068.784 where: short stacking energy: -477.578 Base-Backbone interact. energy: -0.251 local terms energy: -468.974411 where: bonds (distance) C4'-P energy: -84.256 bonds (distance) P-C4' energy: -79.226 flat angles C4'-P-C4' energy: -103.680 flat angles P-C4'-P energy: -68.826 tors. eta vs tors. theta energy: -132.986 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: 2, replica: 3 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1558.006454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.006454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.006454 (E_RNA) where: Base-Base interactions energy: -1116.798 where: short stacking energy: -458.802 Base-Backbone interact. energy: -2.569 local terms energy: -438.638740 where: bonds (distance) C4'-P energy: -70.447 bonds (distance) P-C4' energy: -80.770 flat angles C4'-P-C4' energy: -101.447 flat angles P-C4'-P energy: -68.411 tors. eta vs tors. theta energy: -117.563 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: 8 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1424.739001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.739001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.739001 (E_RNA) where: Base-Base interactions energy: -1010.043 where: short stacking energy: -438.042 Base-Backbone interact. energy: 0.154 local terms energy: -414.850386 where: bonds (distance) C4'-P energy: -70.384 bonds (distance) P-C4' energy: -79.571 flat angles C4'-P-C4' energy: -85.629 flat angles P-C4'-P energy: -60.682 tors. eta vs tors. theta energy: -118.584 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: 9 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1363.778730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.778730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.778730 (E_RNA) where: Base-Base interactions energy: -955.104 where: short stacking energy: -405.811 Base-Backbone interact. energy: -2.419 local terms energy: -406.256175 where: bonds (distance) C4'-P energy: -72.155 bonds (distance) P-C4' energy: -72.759 flat angles C4'-P-C4' energy: -96.675 flat angles P-C4'-P energy: -51.526 tors. eta vs tors. theta energy: -113.141 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: 6 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1350.340245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.340245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.340245 (E_RNA) where: Base-Base interactions energy: -931.635 where: short stacking energy: -416.999 Base-Backbone interact. energy: 2.457 local terms energy: -421.162451 where: bonds (distance) C4'-P energy: -81.347 bonds (distance) P-C4' energy: -81.027 flat angles C4'-P-C4' energy: -83.970 flat angles P-C4'-P energy: -60.382 tors. eta vs tors. theta energy: -114.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1218.705272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.705272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.705272 (E_RNA) where: Base-Base interactions energy: -843.505 where: short stacking energy: -353.145 Base-Backbone interact. energy: -0.022 local terms energy: -375.178941 where: bonds (distance) C4'-P energy: -65.441 bonds (distance) P-C4' energy: -78.616 flat angles C4'-P-C4' energy: -94.621 flat angles P-C4'-P energy: -48.217 tors. eta vs tors. theta energy: -88.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1156.109389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.109389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.109389 (E_RNA) where: Base-Base interactions energy: -782.137 where: short stacking energy: -339.624 Base-Backbone interact. energy: -2.897 local terms energy: -371.075524 where: bonds (distance) C4'-P energy: -69.641 bonds (distance) P-C4' energy: -77.125 flat angles C4'-P-C4' energy: -74.122 flat angles P-C4'-P energy: -52.981 tors. eta vs tors. theta energy: -97.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1114.370975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.370975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.370975 (E_RNA) where: Base-Base interactions energy: -768.786 where: short stacking energy: -331.815 Base-Backbone interact. energy: -2.535 local terms energy: -343.050034 where: bonds (distance) C4'-P energy: -70.988 bonds (distance) P-C4' energy: -63.322 flat angles C4'-P-C4' energy: -85.258 flat angles P-C4'-P energy: -38.634 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: 9, replica: 5 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -700.572643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.572643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.572643 (E_RNA) where: Base-Base interactions energy: -443.147 where: short stacking energy: -222.407 Base-Backbone interact. energy: 7.981 local terms energy: -265.406511 where: bonds (distance) C4'-P energy: -47.605 bonds (distance) P-C4' energy: -75.586 flat angles C4'-P-C4' energy: -68.470 flat angles P-C4'-P energy: -39.920 tors. eta vs tors. theta energy: -33.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -444.177459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.177459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.177459 (E_RNA) where: Base-Base interactions energy: -210.173 where: short stacking energy: -145.288 Base-Backbone interact. energy: -0.224 local terms energy: -233.780564 where: bonds (distance) C4'-P energy: -63.465 bonds (distance) P-C4' energy: -63.703 flat angles C4'-P-C4' energy: -64.120 flat angles P-C4'-P energy: -36.382 tors. eta vs tors. theta energy: -6.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1530.941817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.941817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.941817 (E_RNA) where: Base-Base interactions energy: -1054.281 where: short stacking energy: -466.488 Base-Backbone interact. energy: -1.128 local terms energy: -475.532780 where: bonds (distance) C4'-P energy: -80.356 bonds (distance) P-C4' energy: -85.585 flat angles C4'-P-C4' energy: -98.456 flat angles P-C4'-P energy: -76.383 tors. eta vs tors. theta energy: -134.753 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: 3 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1579.670330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.670330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.670330 (E_RNA) where: Base-Base interactions energy: -1138.283 where: short stacking energy: -450.617 Base-Backbone interact. energy: -0.834 local terms energy: -440.553134 where: bonds (distance) C4'-P energy: -90.724 bonds (distance) P-C4' energy: -74.437 flat angles C4'-P-C4' energy: -98.337 flat angles P-C4'-P energy: -51.428 tors. eta vs tors. theta energy: -125.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -1416.042216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.042216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.042216 (E_RNA) where: Base-Base interactions energy: -991.432 where: short stacking energy: -435.809 Base-Backbone interact. energy: 1.823 local terms energy: -426.433508 where: bonds (distance) C4'-P energy: -72.550 bonds (distance) P-C4' energy: -83.740 flat angles C4'-P-C4' energy: -91.800 flat angles P-C4'-P energy: -61.896 tors. eta vs tors. theta energy: -116.447 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: 4, replica: 6 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1369.553746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.553746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.553746 (E_RNA) where: Base-Base interactions energy: -957.151 where: short stacking energy: -399.057 Base-Backbone interact. energy: -1.024 local terms energy: -411.379488 where: bonds (distance) C4'-P energy: -72.208 bonds (distance) P-C4' energy: -86.461 flat angles C4'-P-C4' energy: -84.175 flat angles P-C4'-P energy: -52.973 tors. eta vs tors. theta energy: -115.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1364.298753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.298753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.298753 (E_RNA) where: Base-Base interactions energy: -954.278 where: short stacking energy: -428.733 Base-Backbone interact. energy: -0.169 local terms energy: -409.851703 where: bonds (distance) C4'-P energy: -64.559 bonds (distance) P-C4' energy: -77.527 flat angles C4'-P-C4' energy: -90.580 flat angles P-C4'-P energy: -59.392 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: 6, replica: 1 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -1220.138782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.138782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.138782 (E_RNA) where: Base-Base interactions energy: -847.257 where: short stacking energy: -368.549 Base-Backbone interact. energy: 0.697 local terms energy: -373.579252 where: bonds (distance) C4'-P energy: -73.198 bonds (distance) P-C4' energy: -81.402 flat angles C4'-P-C4' energy: -73.857 flat angles P-C4'-P energy: -50.887 tors. eta vs tors. theta energy: -94.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1173.790641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.790641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.790641 (E_RNA) where: Base-Base interactions energy: -812.614 where: short stacking energy: -355.073 Base-Backbone interact. energy: -0.509 local terms energy: -360.667551 where: bonds (distance) C4'-P energy: -48.517 bonds (distance) P-C4' energy: -76.665 flat angles C4'-P-C4' energy: -82.290 flat angles P-C4'-P energy: -57.439 tors. eta vs tors. theta energy: -95.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1146.074594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.074594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.074594 (E_RNA) where: Base-Base interactions energy: -775.926 where: short stacking energy: -347.740 Base-Backbone interact. energy: -1.488 local terms energy: -368.660216 where: bonds (distance) C4'-P energy: -61.866 bonds (distance) P-C4' energy: -74.513 flat angles C4'-P-C4' energy: -90.151 flat angles P-C4'-P energy: -52.223 tors. eta vs tors. theta energy: -89.907 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: 5 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -699.377389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.377389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.377389 (E_RNA) where: Base-Base interactions energy: -410.636 where: short stacking energy: -211.218 Base-Backbone interact. energy: 0.460 local terms energy: -289.200999 where: bonds (distance) C4'-P energy: -71.245 bonds (distance) P-C4' energy: -77.350 flat angles C4'-P-C4' energy: -63.674 flat angles P-C4'-P energy: -42.265 tors. eta vs tors. theta energy: -34.668 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: 4 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -453.311967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.311967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.311967 (E_RNA) where: Base-Base interactions energy: -222.727 where: short stacking energy: -145.966 Base-Backbone interact. energy: -1.472 local terms energy: -229.112435 where: bonds (distance) C4'-P energy: -60.161 bonds (distance) P-C4' energy: -73.458 flat angles C4'-P-C4' energy: -59.703 flat angles P-C4'-P energy: -23.740 tors. eta vs tors. theta energy: -12.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1584.718356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.718356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.718356 (E_RNA) where: Base-Base interactions energy: -1137.227 where: short stacking energy: -450.382 Base-Backbone interact. energy: 0.387 local terms energy: -447.878541 where: bonds (distance) C4'-P energy: -75.496 bonds (distance) P-C4' energy: -86.951 flat angles C4'-P-C4' energy: -104.055 flat angles P-C4'-P energy: -57.787 tors. eta vs tors. theta energy: -123.590 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: 2 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1506.968513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.968513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.968513 (E_RNA) where: Base-Base interactions energy: -1036.635 where: short stacking energy: -465.959 Base-Backbone interact. energy: 0.596 local terms energy: -470.929427 where: bonds (distance) C4'-P energy: -86.229 bonds (distance) P-C4' energy: -92.647 flat angles C4'-P-C4' energy: -100.479 flat angles P-C4'-P energy: -61.181 tors. eta vs tors. theta energy: -130.393 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: 346 Temperature: 1.000000 Total energy: -1405.392784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.392784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.392784 (E_RNA) where: Base-Base interactions energy: -987.322 where: short stacking energy: -433.076 Base-Backbone interact. energy: -2.015 local terms energy: -416.054875 where: bonds (distance) C4'-P energy: -85.152 bonds (distance) P-C4' energy: -63.661 flat angles C4'-P-C4' energy: -95.678 flat angles P-C4'-P energy: -50.369 tors. eta vs tors. theta energy: -121.196 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: 4, replica: 8 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1415.332907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.332907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.332907 (E_RNA) where: Base-Base interactions energy: -991.627 where: short stacking energy: -430.446 Base-Backbone interact. energy: -2.202 local terms energy: -421.503847 where: bonds (distance) C4'-P energy: -71.823 bonds (distance) P-C4' energy: -82.942 flat angles C4'-P-C4' energy: -93.826 flat angles P-C4'-P energy: -59.074 tors. eta vs tors. theta energy: -113.838 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: 9 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1308.667757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.667757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.667757 (E_RNA) where: Base-Base interactions energy: -903.696 where: short stacking energy: -396.338 Base-Backbone interact. energy: 1.987 local terms energy: -406.958483 where: bonds (distance) C4'-P energy: -72.656 bonds (distance) P-C4' energy: -61.854 flat angles C4'-P-C4' energy: -92.787 flat angles P-C4'-P energy: -67.701 tors. eta vs tors. theta energy: -111.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1220.843565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.843565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.843565 (E_RNA) where: Base-Base interactions energy: -844.441 where: short stacking energy: -331.204 Base-Backbone interact. energy: -0.839 local terms energy: -375.563889 where: bonds (distance) C4'-P energy: -68.441 bonds (distance) P-C4' energy: -74.459 flat angles C4'-P-C4' energy: -93.258 flat angles P-C4'-P energy: -67.532 tors. eta vs tors. theta energy: -71.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1166.537610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.537610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.537610 (E_RNA) where: Base-Base interactions energy: -784.831 where: short stacking energy: -357.772 Base-Backbone interact. energy: -1.633 local terms energy: -380.073477 where: bonds (distance) C4'-P energy: -68.403 bonds (distance) P-C4' energy: -72.441 flat angles C4'-P-C4' energy: -79.293 flat angles P-C4'-P energy: -59.594 tors. eta vs tors. theta energy: -100.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1150.162515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.162515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.162515 (E_RNA) where: Base-Base interactions energy: -806.532 where: short stacking energy: -347.480 Base-Backbone interact. energy: -2.125 local terms energy: -341.505298 where: bonds (distance) C4'-P energy: -64.107 bonds (distance) P-C4' energy: -81.796 flat angles C4'-P-C4' energy: -77.691 flat angles P-C4'-P energy: -34.643 tors. eta vs tors. theta energy: -83.269 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: 5 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -680.775485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.775485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.775485 (E_RNA) where: Base-Base interactions energy: -395.720 where: short stacking energy: -195.744 Base-Backbone interact. energy: -2.551 local terms energy: -282.504797 where: bonds (distance) C4'-P energy: -63.781 bonds (distance) P-C4' energy: -74.061 flat angles C4'-P-C4' energy: -74.373 flat angles P-C4'-P energy: -44.312 tors. eta vs tors. theta energy: -25.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -422.122558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.122558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.122558 (E_RNA) where: Base-Base interactions energy: -186.457 where: short stacking energy: -123.822 Base-Backbone interact. energy: 0.109 local terms energy: -235.775413 where: bonds (distance) C4'-P energy: -74.669 bonds (distance) P-C4' energy: -72.630 flat angles C4'-P-C4' energy: -66.046 flat angles P-C4'-P energy: -27.995 tors. eta vs tors. theta energy: 5.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1563.575222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.575222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.575222 (E_RNA) where: Base-Base interactions energy: -1116.583 where: short stacking energy: -457.157 Base-Backbone interact. energy: -1.043 local terms energy: -445.949582 where: bonds (distance) C4'-P energy: -79.607 bonds (distance) P-C4' energy: -82.232 flat angles C4'-P-C4' energy: -93.674 flat angles P-C4'-P energy: -62.233 tors. eta vs tors. theta energy: -128.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1499.786227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.786227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.786227 (E_RNA) where: Base-Base interactions energy: -1042.277 where: short stacking energy: -472.088 Base-Backbone interact. energy: -2.045 local terms energy: -455.464786 where: bonds (distance) C4'-P energy: -80.943 bonds (distance) P-C4' energy: -83.776 flat angles C4'-P-C4' energy: -95.434 flat angles P-C4'-P energy: -65.318 tors. eta vs tors. theta energy: -129.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1413.647445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.647445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.647445 (E_RNA) where: Base-Base interactions energy: -995.607 where: short stacking energy: -412.140 Base-Backbone interact. energy: -2.719 local terms energy: -415.321303 where: bonds (distance) C4'-P energy: -83.546 bonds (distance) P-C4' energy: -83.321 flat angles C4'-P-C4' energy: -84.247 flat angles P-C4'-P energy: -61.112 tors. eta vs tors. theta energy: -103.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1405.207408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.207408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.207408 (E_RNA) where: Base-Base interactions energy: -958.103 where: short stacking energy: -416.751 Base-Backbone interact. energy: -2.894 local terms energy: -444.210534 where: bonds (distance) C4'-P energy: -87.278 bonds (distance) P-C4' energy: -94.048 flat angles C4'-P-C4' energy: -87.151 flat angles P-C4'-P energy: -61.795 tors. eta vs tors. theta energy: -113.939 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: 9 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -1296.897165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.897165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.897165 (E_RNA) where: Base-Base interactions energy: -919.926 where: short stacking energy: -380.674 Base-Backbone interact. energy: -0.987 local terms energy: -375.983898 where: bonds (distance) C4'-P energy: -78.912 bonds (distance) P-C4' energy: -70.560 flat angles C4'-P-C4' energy: -87.122 flat angles P-C4'-P energy: -42.725 tors. eta vs tors. theta energy: -96.665 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: 10 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1206.939523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.939523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.939523 (E_RNA) where: Base-Base interactions energy: -856.753 where: short stacking energy: -366.863 Base-Backbone interact. energy: -2.339 local terms energy: -347.847012 where: bonds (distance) C4'-P energy: -72.496 bonds (distance) P-C4' energy: -59.454 flat angles C4'-P-C4' energy: -73.359 flat angles P-C4'-P energy: -51.419 tors. eta vs tors. theta energy: -91.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1130.513827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.513827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.513827 (E_RNA) where: Base-Base interactions energy: -786.493 where: short stacking energy: -337.681 Base-Backbone interact. energy: -2.733 local terms energy: -341.288158 where: bonds (distance) C4'-P energy: -65.298 bonds (distance) P-C4' energy: -68.464 flat angles C4'-P-C4' energy: -77.370 flat angles P-C4'-P energy: -58.987 tors. eta vs tors. theta energy: -71.169 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: 7 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1125.435018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.435018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.435018 (E_RNA) where: Base-Base interactions energy: -782.905 where: short stacking energy: -339.423 Base-Backbone interact. energy: -1.371 local terms energy: -341.158677 where: bonds (distance) C4'-P energy: -61.631 bonds (distance) P-C4' energy: -64.239 flat angles C4'-P-C4' energy: -88.244 flat angles P-C4'-P energy: -38.623 tors. eta vs tors. theta energy: -88.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -662.644735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.644735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.644735 (E_RNA) where: Base-Base interactions energy: -406.928 where: short stacking energy: -172.120 Base-Backbone interact. energy: -0.077 local terms energy: -255.640121 where: bonds (distance) C4'-P energy: -68.140 bonds (distance) P-C4' energy: -62.104 flat angles C4'-P-C4' energy: -59.003 flat angles P-C4'-P energy: -50.352 tors. eta vs tors. theta energy: -16.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -454.045253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.045253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.045253 (E_RNA) where: Base-Base interactions energy: -216.785 where: short stacking energy: -134.517 Base-Backbone interact. energy: 2.335 local terms energy: -239.595217 where: bonds (distance) C4'-P energy: -64.311 bonds (distance) P-C4' energy: -68.657 flat angles C4'-P-C4' energy: -67.555 flat angles P-C4'-P energy: -34.644 tors. eta vs tors. theta energy: -4.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1583.583202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.583202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.583202 (E_RNA) where: Base-Base interactions energy: -1120.417 where: short stacking energy: -440.310 Base-Backbone interact. energy: -3.354 local terms energy: -459.811739 where: bonds (distance) C4'-P energy: -85.584 bonds (distance) P-C4' energy: -84.517 flat angles C4'-P-C4' energy: -98.551 flat angles P-C4'-P energy: -69.852 tors. eta vs tors. theta energy: -121.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1517.144728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.144728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.144728 (E_RNA) where: Base-Base interactions energy: -1056.633 where: short stacking energy: -477.507 Base-Backbone interact. energy: -2.341 local terms energy: -458.171203 where: bonds (distance) C4'-P energy: -81.966 bonds (distance) P-C4' energy: -81.275 flat angles C4'-P-C4' energy: -100.381 flat angles P-C4'-P energy: -60.889 tors. eta vs tors. theta energy: -133.660 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: 8 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1444.721264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.721264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.721264 (E_RNA) where: Base-Base interactions energy: -994.829 where: short stacking energy: -445.472 Base-Backbone interact. energy: -0.931 local terms energy: -448.961118 where: bonds (distance) C4'-P energy: -79.023 bonds (distance) P-C4' energy: -78.670 flat angles C4'-P-C4' energy: -99.131 flat angles P-C4'-P energy: -62.650 tors. eta vs tors. theta energy: -129.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1373.364258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.364258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.364258 (E_RNA) where: Base-Base interactions energy: -952.097 where: short stacking energy: -411.612 Base-Backbone interact. energy: -0.324 local terms energy: -420.943795 where: bonds (distance) C4'-P energy: -73.465 bonds (distance) P-C4' energy: -82.152 flat angles C4'-P-C4' energy: -87.399 flat angles P-C4'-P energy: -64.492 tors. eta vs tors. theta energy: -113.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1321.663210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.663210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.663210 (E_RNA) where: Base-Base interactions energy: -935.856 where: short stacking energy: -386.787 Base-Backbone interact. energy: -2.071 local terms energy: -383.735715 where: bonds (distance) C4'-P energy: -75.109 bonds (distance) P-C4' energy: -64.318 flat angles C4'-P-C4' energy: -80.211 flat angles P-C4'-P energy: -60.543 tors. eta vs tors. theta energy: -103.555 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: 10 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1193.923192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.923192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.923192 (E_RNA) where: Base-Base interactions energy: -809.674 where: short stacking energy: -358.616 Base-Backbone interact. energy: -1.200 local terms energy: -383.049817 where: bonds (distance) C4'-P energy: -88.817 bonds (distance) P-C4' energy: -67.331 flat angles C4'-P-C4' energy: -82.101 flat angles P-C4'-P energy: -45.597 tors. eta vs tors. theta energy: -99.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1147.158909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.158909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.158909 (E_RNA) where: Base-Base interactions energy: -791.205 where: short stacking energy: -329.584 Base-Backbone interact. energy: -2.164 local terms energy: -353.789334 where: bonds (distance) C4'-P energy: -69.636 bonds (distance) P-C4' energy: -70.473 flat angles C4'-P-C4' energy: -72.438 flat angles P-C4'-P energy: -61.180 tors. eta vs tors. theta energy: -80.062 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: 7 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1112.418073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.418073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.418073 (E_RNA) where: Base-Base interactions energy: -760.134 where: short stacking energy: -321.301 Base-Backbone interact. energy: -0.417 local terms energy: -351.866344 where: bonds (distance) C4'-P energy: -71.276 bonds (distance) P-C4' energy: -69.447 flat angles C4'-P-C4' energy: -80.263 flat angles P-C4'-P energy: -44.952 tors. eta vs tors. theta energy: -85.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -627.751565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.751565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.751565 (E_RNA) where: Base-Base interactions energy: -365.357 where: short stacking energy: -173.140 Base-Backbone interact. energy: 0.316 local terms energy: -262.710385 where: bonds (distance) C4'-P energy: -47.926 bonds (distance) P-C4' energy: -68.348 flat angles C4'-P-C4' energy: -72.374 flat angles P-C4'-P energy: -47.062 tors. eta vs tors. theta energy: -27.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -424.977428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.977428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.977428 (E_RNA) where: Base-Base interactions energy: -182.015 where: short stacking energy: -110.072 Base-Backbone interact. energy: -1.073 local terms energy: -241.889366 where: bonds (distance) C4'-P energy: -70.558 bonds (distance) P-C4' energy: -72.850 flat angles C4'-P-C4' energy: -57.573 flat angles P-C4'-P energy: -47.069 tors. eta vs tors. theta energy: 6.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1579.016520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.016520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.016520 (E_RNA) where: Base-Base interactions energy: -1121.472 where: short stacking energy: -444.599 Base-Backbone interact. energy: -0.304 local terms energy: -457.240771 where: bonds (distance) C4'-P energy: -83.871 bonds (distance) P-C4' energy: -92.253 flat angles C4'-P-C4' energy: -89.438 flat angles P-C4'-P energy: -71.192 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: 2 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1484.456586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.456586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.456586 (E_RNA) where: Base-Base interactions energy: -1032.539 where: short stacking energy: -454.961 Base-Backbone interact. energy: -1.148 local terms energy: -450.769368 where: bonds (distance) C4'-P energy: -75.506 bonds (distance) P-C4' energy: -90.112 flat angles C4'-P-C4' energy: -91.251 flat angles P-C4'-P energy: -62.909 tors. eta vs tors. theta energy: -130.990 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: 3, replica: 8 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1437.819420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.819420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.819420 (E_RNA) where: Base-Base interactions energy: -1000.602 where: short stacking energy: -438.987 Base-Backbone interact. energy: -1.019 local terms energy: -436.199088 where: bonds (distance) C4'-P energy: -83.389 bonds (distance) P-C4' energy: -81.902 flat angles C4'-P-C4' energy: -78.533 flat angles P-C4'-P energy: -70.378 tors. eta vs tors. theta energy: -121.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -1352.533636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.533636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.533636 (E_RNA) where: Base-Base interactions energy: -943.560 where: short stacking energy: -401.717 Base-Backbone interact. energy: -0.727 local terms energy: -408.247082 where: bonds (distance) C4'-P energy: -78.708 bonds (distance) P-C4' energy: -68.652 flat angles C4'-P-C4' energy: -94.655 flat angles P-C4'-P energy: -54.212 tors. eta vs tors. theta energy: -112.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -1327.410004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.410004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.410004 (E_RNA) where: Base-Base interactions energy: -943.642 where: short stacking energy: -391.730 Base-Backbone interact. energy: 1.710 local terms energy: -385.477806 where: bonds (distance) C4'-P energy: -62.499 bonds (distance) P-C4' energy: -77.489 flat angles C4'-P-C4' energy: -89.271 flat angles P-C4'-P energy: -54.219 tors. eta vs tors. theta energy: -102.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1184.674768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.674768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.674768 (E_RNA) where: Base-Base interactions energy: -812.655 where: short stacking energy: -343.243 Base-Backbone interact. energy: -2.102 local terms energy: -369.917360 where: bonds (distance) C4'-P energy: -73.922 bonds (distance) P-C4' energy: -70.466 flat angles C4'-P-C4' energy: -80.598 flat angles P-C4'-P energy: -58.350 tors. eta vs tors. theta energy: -86.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1142.557276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.557276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.557276 (E_RNA) where: Base-Base interactions energy: -786.835 where: short stacking energy: -362.582 Base-Backbone interact. energy: -0.617 local terms energy: -355.105934 where: bonds (distance) C4'-P energy: -72.170 bonds (distance) P-C4' energy: -68.029 flat angles C4'-P-C4' energy: -75.654 flat angles P-C4'-P energy: -55.364 tors. eta vs tors. theta energy: -83.888 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: 349 Temperature: 1.250000 Total energy: -1051.751515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.751515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.751515 (E_RNA) where: Base-Base interactions energy: -697.404 where: short stacking energy: -316.834 Base-Backbone interact. energy: 0.399 local terms energy: -354.747162 where: bonds (distance) C4'-P energy: -63.702 bonds (distance) P-C4' energy: -76.930 flat angles C4'-P-C4' energy: -80.286 flat angles P-C4'-P energy: -61.202 tors. eta vs tors. theta energy: -72.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -691.653160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.653160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.653160 (E_RNA) where: Base-Base interactions energy: -417.869 where: short stacking energy: -201.548 Base-Backbone interact. energy: -3.046 local terms energy: -270.739040 where: bonds (distance) C4'-P energy: -71.143 bonds (distance) P-C4' energy: -75.640 flat angles C4'-P-C4' energy: -55.242 flat angles P-C4'-P energy: -40.902 tors. eta vs tors. theta energy: -27.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -451.610038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.610038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.610038 (E_RNA) where: Base-Base interactions energy: -240.564 where: short stacking energy: -144.222 Base-Backbone interact. energy: 0.501 local terms energy: -211.547015 where: bonds (distance) C4'-P energy: -58.319 bonds (distance) P-C4' energy: -66.426 flat angles C4'-P-C4' energy: -63.785 flat angles P-C4'-P energy: -33.638 tors. eta vs tors. theta energy: 10.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1574.897626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.897626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.897626 (E_RNA) where: Base-Base interactions energy: -1128.780 where: short stacking energy: -439.627 Base-Backbone interact. energy: -2.300 local terms energy: -443.818128 where: bonds (distance) C4'-P energy: -79.219 bonds (distance) P-C4' energy: -88.206 flat angles C4'-P-C4' energy: -97.187 flat angles P-C4'-P energy: -60.480 tors. eta vs tors. theta energy: -118.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1500.646416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.646416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.646416 (E_RNA) where: Base-Base interactions energy: -1040.094 where: short stacking energy: -448.618 Base-Backbone interact. energy: -0.900 local terms energy: -459.652092 where: bonds (distance) C4'-P energy: -91.390 bonds (distance) P-C4' energy: -72.130 flat angles C4'-P-C4' energy: -98.895 flat angles P-C4'-P energy: -61.400 tors. eta vs tors. theta energy: -135.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1446.374617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.374617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.374617 (E_RNA) where: Base-Base interactions energy: -1007.468 where: short stacking energy: -426.223 Base-Backbone interact. energy: -3.417 local terms energy: -435.489610 where: bonds (distance) C4'-P energy: -83.038 bonds (distance) P-C4' energy: -85.758 flat angles C4'-P-C4' energy: -88.459 flat angles P-C4'-P energy: -62.717 tors. eta vs tors. theta energy: -115.518 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: 9 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -1325.205862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.205862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.205862 (E_RNA) where: Base-Base interactions energy: -908.943 where: short stacking energy: -390.718 Base-Backbone interact. energy: 0.642 local terms energy: -416.904560 where: bonds (distance) C4'-P energy: -80.428 bonds (distance) P-C4' energy: -78.719 flat angles C4'-P-C4' energy: -90.854 flat angles P-C4'-P energy: -61.693 tors. eta vs tors. theta energy: -105.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1333.523576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.523576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.523576 (E_RNA) where: Base-Base interactions energy: -928.232 where: short stacking energy: -397.993 Base-Backbone interact. energy: -1.949 local terms energy: -403.341839 where: bonds (distance) C4'-P energy: -69.127 bonds (distance) P-C4' energy: -78.124 flat angles C4'-P-C4' energy: -85.581 flat angles P-C4'-P energy: -58.304 tors. eta vs tors. theta energy: -112.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1178.378779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.378779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.378779 (E_RNA) where: Base-Base interactions energy: -849.188 where: short stacking energy: -352.816 Base-Backbone interact. energy: -1.420 local terms energy: -327.770396 where: bonds (distance) C4'-P energy: -59.308 bonds (distance) P-C4' energy: -61.987 flat angles C4'-P-C4' energy: -72.744 flat angles P-C4'-P energy: -48.375 tors. eta vs tors. theta energy: -85.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1152.097568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.097568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.097568 (E_RNA) where: Base-Base interactions energy: -787.082 where: short stacking energy: -327.554 Base-Backbone interact. energy: -2.211 local terms energy: -362.804075 where: bonds (distance) C4'-P energy: -78.122 bonds (distance) P-C4' energy: -66.893 flat angles C4'-P-C4' energy: -86.312 flat angles P-C4'-P energy: -49.769 tors. eta vs tors. theta energy: -81.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1057.541045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.541045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.541045 (E_RNA) where: Base-Base interactions energy: -727.829 where: short stacking energy: -324.313 Base-Backbone interact. energy: -1.624 local terms energy: -328.088396 where: bonds (distance) C4'-P energy: -59.259 bonds (distance) P-C4' energy: -59.531 flat angles C4'-P-C4' energy: -77.246 flat angles P-C4'-P energy: -51.130 tors. eta vs tors. theta energy: -80.922 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: 5 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -690.755469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.755469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.755469 (E_RNA) where: Base-Base interactions energy: -419.342 where: short stacking energy: -205.087 Base-Backbone interact. energy: 0.375 local terms energy: -271.788279 where: bonds (distance) C4'-P energy: -61.005 bonds (distance) P-C4' energy: -73.482 flat angles C4'-P-C4' energy: -70.497 flat angles P-C4'-P energy: -44.292 tors. eta vs tors. theta energy: -22.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -467.947438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.947438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.947438 (E_RNA) where: Base-Base interactions energy: -234.929 where: short stacking energy: -149.253 Base-Backbone interact. energy: 2.944 local terms energy: -235.962778 where: bonds (distance) C4'-P energy: -67.657 bonds (distance) P-C4' energy: -80.376 flat angles C4'-P-C4' energy: -67.646 flat angles P-C4'-P energy: -22.683 tors. eta vs tors. theta energy: 2.399 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: 1, replica: 3 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1598.362232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.362232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.362232 (E_RNA) where: Base-Base interactions energy: -1133.151 where: short stacking energy: -449.645 Base-Backbone interact. energy: -0.328 local terms energy: -464.882986 where: bonds (distance) C4'-P energy: -81.146 bonds (distance) P-C4' energy: -86.500 flat angles C4'-P-C4' energy: -105.951 flat angles P-C4'-P energy: -66.139 tors. eta vs tors. theta energy: -125.147 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: 2 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1502.862156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.862156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.862156 (E_RNA) where: Base-Base interactions energy: -1040.832 where: short stacking energy: -462.699 Base-Backbone interact. energy: -0.465 local terms energy: -461.565084 where: bonds (distance) C4'-P energy: -71.484 bonds (distance) P-C4' energy: -89.834 flat angles C4'-P-C4' energy: -93.979 flat angles P-C4'-P energy: -71.632 tors. eta vs tors. theta energy: -134.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1421.310476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.310476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.310476 (E_RNA) where: Base-Base interactions energy: -990.943 where: short stacking energy: -438.845 Base-Backbone interact. energy: -1.199 local terms energy: -429.168785 where: bonds (distance) C4'-P energy: -63.389 bonds (distance) P-C4' energy: -82.299 flat angles C4'-P-C4' energy: -97.420 flat angles P-C4'-P energy: -63.508 tors. eta vs tors. theta energy: -122.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1387.680637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.680637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.680637 (E_RNA) where: Base-Base interactions energy: -981.931 where: short stacking energy: -425.842 Base-Backbone interact. energy: -0.428 local terms energy: -405.321164 where: bonds (distance) C4'-P energy: -79.672 bonds (distance) P-C4' energy: -76.419 flat angles C4'-P-C4' energy: -86.516 flat angles P-C4'-P energy: -54.363 tors. eta vs tors. theta energy: -108.353 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: 351 Temperature: 1.100000 Total energy: -1299.697250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.697250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.697250 (E_RNA) where: Base-Base interactions energy: -919.800 where: short stacking energy: -390.304 Base-Backbone interact. energy: 1.058 local terms energy: -380.955601 where: bonds (distance) C4'-P energy: -64.336 bonds (distance) P-C4' energy: -74.380 flat angles C4'-P-C4' energy: -83.224 flat angles P-C4'-P energy: -59.113 tors. eta vs tors. theta energy: -99.902 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: 6, replica: 10 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1201.939480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.939480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.939480 (E_RNA) where: Base-Base interactions energy: -849.842 where: short stacking energy: -354.203 Base-Backbone interact. energy: -0.932 local terms energy: -351.165448 where: bonds (distance) C4'-P energy: -61.150 bonds (distance) P-C4' energy: -67.414 flat angles C4'-P-C4' energy: -78.579 flat angles P-C4'-P energy: -45.243 tors. eta vs tors. theta energy: -98.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1178.741049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.741049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.741049 (E_RNA) where: Base-Base interactions energy: -821.662 where: short stacking energy: -339.029 Base-Backbone interact. energy: -3.960 local terms energy: -353.118235 where: bonds (distance) C4'-P energy: -73.433 bonds (distance) P-C4' energy: -74.174 flat angles C4'-P-C4' energy: -83.483 flat angles P-C4'-P energy: -44.173 tors. eta vs tors. theta energy: -77.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1078.297073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.297073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.297073 (E_RNA) where: Base-Base interactions energy: -756.284 where: short stacking energy: -347.935 Base-Backbone interact. energy: 0.022 local terms energy: -322.035522 where: bonds (distance) C4'-P energy: -47.405 bonds (distance) P-C4' energy: -55.274 flat angles C4'-P-C4' energy: -81.173 flat angles P-C4'-P energy: -57.614 tors. eta vs tors. theta energy: -80.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -716.825984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.825984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.825984 (E_RNA) where: Base-Base interactions energy: -452.474 where: short stacking energy: -204.977 Base-Backbone interact. energy: 1.024 local terms energy: -265.376533 where: bonds (distance) C4'-P energy: -54.235 bonds (distance) P-C4' energy: -74.961 flat angles C4'-P-C4' energy: -75.758 flat angles P-C4'-P energy: -36.867 tors. eta vs tors. theta energy: -23.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -500.060294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.060294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.060294 (E_RNA) where: Base-Base interactions energy: -256.852 where: short stacking energy: -135.286 Base-Backbone interact. energy: 0.481 local terms energy: -243.689634 where: bonds (distance) C4'-P energy: -66.661 bonds (distance) P-C4' energy: -73.035 flat angles C4'-P-C4' energy: -63.546 flat angles P-C4'-P energy: -31.898 tors. eta vs tors. theta energy: -8.550 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: 1, replica: 3 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1589.405060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.405060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.405060 (E_RNA) where: Base-Base interactions energy: -1133.380 where: short stacking energy: -446.167 Base-Backbone interact. energy: -2.763 local terms energy: -453.262379 where: bonds (distance) C4'-P energy: -87.599 bonds (distance) P-C4' energy: -80.918 flat angles C4'-P-C4' energy: -99.221 flat angles P-C4'-P energy: -67.742 tors. eta vs tors. theta energy: -117.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1504.532870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.532870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.532870 (E_RNA) where: Base-Base interactions energy: -1052.648 where: short stacking energy: -467.515 Base-Backbone interact. energy: -1.797 local terms energy: -450.087136 where: bonds (distance) C4'-P energy: -75.207 bonds (distance) P-C4' energy: -83.053 flat angles C4'-P-C4' energy: -95.081 flat angles P-C4'-P energy: -67.937 tors. eta vs tors. theta energy: -128.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1408.266281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.266281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.266281 (E_RNA) where: Base-Base interactions energy: -993.269 where: short stacking energy: -410.072 Base-Backbone interact. energy: -0.797 local terms energy: -414.200903 where: bonds (distance) C4'-P energy: -74.588 bonds (distance) P-C4' energy: -77.298 flat angles C4'-P-C4' energy: -86.374 flat angles P-C4'-P energy: -67.191 tors. eta vs tors. theta energy: -108.749 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: 352 Temperature: 1.050000 Total energy: -1413.247488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.247488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.247488 (E_RNA) where: Base-Base interactions energy: -992.079 where: short stacking energy: -427.070 Base-Backbone interact. energy: -0.340 local terms energy: -420.828663 where: bonds (distance) C4'-P energy: -74.476 bonds (distance) P-C4' energy: -74.604 flat angles C4'-P-C4' energy: -96.396 flat angles P-C4'-P energy: -55.390 tors. eta vs tors. theta energy: -119.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1308.397158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.397158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.397158 (E_RNA) where: Base-Base interactions energy: -908.368 where: short stacking energy: -388.345 Base-Backbone interact. energy: -1.144 local terms energy: -398.884428 where: bonds (distance) C4'-P energy: -87.307 bonds (distance) P-C4' energy: -70.341 flat angles C4'-P-C4' energy: -85.983 flat angles P-C4'-P energy: -47.788 tors. eta vs tors. theta energy: -107.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1308.406336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.406336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.406336 (E_RNA) where: Base-Base interactions energy: -937.855 where: short stacking energy: -398.353 Base-Backbone interact. energy: -1.584 local terms energy: -368.967237 where: bonds (distance) C4'-P energy: -68.280 bonds (distance) P-C4' energy: -67.062 flat angles C4'-P-C4' energy: -84.041 flat angles P-C4'-P energy: -48.902 tors. eta vs tors. theta energy: -100.684 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: 1 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1142.266192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.266192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.266192 (E_RNA) where: Base-Base interactions energy: -782.025 where: short stacking energy: -351.708 Base-Backbone interact. energy: 1.156 local terms energy: -361.396821 where: bonds (distance) C4'-P energy: -74.740 bonds (distance) P-C4' energy: -78.690 flat angles C4'-P-C4' energy: -73.752 flat angles P-C4'-P energy: -49.168 tors. eta vs tors. theta energy: -85.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1063.489614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.489614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.489614 (E_RNA) where: Base-Base interactions energy: -717.338 where: short stacking energy: -324.883 Base-Backbone interact. energy: 3.511 local terms energy: -349.662910 where: bonds (distance) C4'-P energy: -75.055 bonds (distance) P-C4' energy: -71.817 flat angles C4'-P-C4' energy: -82.524 flat angles P-C4'-P energy: -44.714 tors. eta vs tors. theta energy: -75.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -688.979846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.979846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.979846 (E_RNA) where: Base-Base interactions energy: -453.788 where: short stacking energy: -198.123 Base-Backbone interact. energy: -1.296 local terms energy: -233.896067 where: bonds (distance) C4'-P energy: -65.966 bonds (distance) P-C4' energy: -46.702 flat angles C4'-P-C4' energy: -70.953 flat angles P-C4'-P energy: -24.899 tors. eta vs tors. theta energy: -25.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -513.569685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.569685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.569685 (E_RNA) where: Base-Base interactions energy: -273.719 where: short stacking energy: -142.406 Base-Backbone interact. energy: -1.559 local terms energy: -238.291858 where: bonds (distance) C4'-P energy: -78.138 bonds (distance) P-C4' energy: -72.777 flat angles C4'-P-C4' energy: -54.342 flat angles P-C4'-P energy: -27.570 tors. eta vs tors. theta energy: -5.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1590.943166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.943166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.943166 (E_RNA) where: Base-Base interactions energy: -1131.343 where: short stacking energy: -437.214 Base-Backbone interact. energy: -0.322 local terms energy: -459.278533 where: bonds (distance) C4'-P energy: -86.888 bonds (distance) P-C4' energy: -91.376 flat angles C4'-P-C4' energy: -92.772 flat angles P-C4'-P energy: -69.757 tors. eta vs tors. theta energy: -118.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1493.474859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.474859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.474859 (E_RNA) where: Base-Base interactions energy: -1042.727 where: short stacking energy: -452.308 Base-Backbone interact. energy: -2.329 local terms energy: -448.419372 where: bonds (distance) C4'-P energy: -85.089 bonds (distance) P-C4' energy: -82.474 flat angles C4'-P-C4' energy: -93.967 flat angles P-C4'-P energy: -57.759 tors. eta vs tors. theta energy: -129.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1417.719935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.719935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.719935 (E_RNA) where: Base-Base interactions energy: -983.666 where: short stacking energy: -411.248 Base-Backbone interact. energy: -2.016 local terms energy: -432.037481 where: bonds (distance) C4'-P energy: -71.714 bonds (distance) P-C4' energy: -94.641 flat angles C4'-P-C4' energy: -92.766 flat angles P-C4'-P energy: -59.227 tors. eta vs tors. theta energy: -113.689 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: 353 Temperature: 1.050000 Total energy: -1395.805961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.805961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.805961 (E_RNA) where: Base-Base interactions energy: -959.763 where: short stacking energy: -414.447 Base-Backbone interact. energy: -0.050 local terms energy: -435.992369 where: bonds (distance) C4'-P energy: -88.279 bonds (distance) P-C4' energy: -83.029 flat angles C4'-P-C4' energy: -94.165 flat angles P-C4'-P energy: -61.538 tors. eta vs tors. theta energy: -108.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1339.024432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.024432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.024432 (E_RNA) where: Base-Base interactions energy: -924.168 where: short stacking energy: -397.072 Base-Backbone interact. energy: -0.911 local terms energy: -413.945501 where: bonds (distance) C4'-P energy: -65.184 bonds (distance) P-C4' energy: -85.900 flat angles C4'-P-C4' energy: -82.930 flat angles P-C4'-P energy: -56.129 tors. eta vs tors. theta energy: -123.802 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: 9 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -1255.086989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.086989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.086989 (E_RNA) where: Base-Base interactions energy: -879.914 where: short stacking energy: -371.242 Base-Backbone interact. energy: 0.277 local terms energy: -375.450669 where: bonds (distance) C4'-P energy: -68.943 bonds (distance) P-C4' energy: -67.452 flat angles C4'-P-C4' energy: -91.444 flat angles P-C4'-P energy: -56.318 tors. eta vs tors. theta energy: -91.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1121.560145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.560145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.560145 (E_RNA) where: Base-Base interactions energy: -781.389 where: short stacking energy: -318.414 Base-Backbone interact. energy: -3.742 local terms energy: -336.428767 where: bonds (distance) C4'-P energy: -77.966 bonds (distance) P-C4' energy: -67.344 flat angles C4'-P-C4' energy: -73.583 flat angles P-C4'-P energy: -37.775 tors. eta vs tors. theta energy: -79.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1071.182699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.182699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.182699 (E_RNA) where: Base-Base interactions energy: -728.990 where: short stacking energy: -301.396 Base-Backbone interact. energy: -2.413 local terms energy: -339.779470 where: bonds (distance) C4'-P energy: -81.162 bonds (distance) P-C4' energy: -70.245 flat angles C4'-P-C4' energy: -76.577 flat angles P-C4'-P energy: -38.460 tors. eta vs tors. theta energy: -73.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -751.539833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.539833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.539833 (E_RNA) where: Base-Base interactions energy: -462.843 where: short stacking energy: -220.281 Base-Backbone interact. energy: 2.725 local terms energy: -291.422045 where: bonds (distance) C4'-P energy: -67.442 bonds (distance) P-C4' energy: -70.229 flat angles C4'-P-C4' energy: -78.381 flat angles P-C4'-P energy: -42.290 tors. eta vs tors. theta energy: -33.081 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: 10, replica: 4 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -512.302651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.302651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.302651 (E_RNA) where: Base-Base interactions energy: -271.588 where: short stacking energy: -158.181 Base-Backbone interact. energy: 0.105 local terms energy: -240.818806 where: bonds (distance) C4'-P energy: -64.929 bonds (distance) P-C4' energy: -63.533 flat angles C4'-P-C4' energy: -57.936 flat angles P-C4'-P energy: -47.843 tors. eta vs tors. theta energy: -6.577 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: 3 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1577.011960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.011960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.011960 (E_RNA) where: Base-Base interactions energy: -1129.738 where: short stacking energy: -453.979 Base-Backbone interact. energy: -0.163 local terms energy: -447.111150 where: bonds (distance) C4'-P energy: -88.833 bonds (distance) P-C4' energy: -81.040 flat angles C4'-P-C4' energy: -93.518 flat angles P-C4'-P energy: -65.435 tors. eta vs tors. theta energy: -118.285 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: 2 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1505.437512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.437512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.437512 (E_RNA) where: Base-Base interactions energy: -1051.979 where: short stacking energy: -453.911 Base-Backbone interact. energy: -1.074 local terms energy: -452.384517 where: bonds (distance) C4'-P energy: -77.888 bonds (distance) P-C4' energy: -83.958 flat angles C4'-P-C4' energy: -100.979 flat angles P-C4'-P energy: -59.561 tors. eta vs tors. theta energy: -129.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1436.014340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.014340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.014340 (E_RNA) where: Base-Base interactions energy: -1006.960 where: short stacking energy: -426.803 Base-Backbone interact. energy: -1.622 local terms energy: -427.431853 where: bonds (distance) C4'-P energy: -77.726 bonds (distance) P-C4' energy: -80.768 flat angles C4'-P-C4' energy: -94.717 flat angles P-C4'-P energy: -50.478 tors. eta vs tors. theta energy: -123.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1369.390146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.390146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.390146 (E_RNA) where: Base-Base interactions energy: -943.776 where: short stacking energy: -382.573 Base-Backbone interact. energy: -1.688 local terms energy: -423.926105 where: bonds (distance) C4'-P energy: -84.192 bonds (distance) P-C4' energy: -84.935 flat angles C4'-P-C4' energy: -88.594 flat angles P-C4'-P energy: -68.408 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: 5, replica: 9 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -1312.505634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.505634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.505634 (E_RNA) where: Base-Base interactions energy: -919.663 where: short stacking energy: -392.363 Base-Backbone interact. energy: 2.758 local terms energy: -395.600081 where: bonds (distance) C4'-P energy: -63.583 bonds (distance) P-C4' energy: -76.335 flat angles C4'-P-C4' energy: -94.455 flat angles P-C4'-P energy: -57.095 tors. eta vs tors. theta energy: -104.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1202.581006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.581006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.581006 (E_RNA) where: Base-Base interactions energy: -833.647 where: short stacking energy: -358.748 Base-Backbone interact. energy: -0.292 local terms energy: -368.641556 where: bonds (distance) C4'-P energy: -74.413 bonds (distance) P-C4' energy: -67.547 flat angles C4'-P-C4' energy: -84.118 flat angles P-C4'-P energy: -47.479 tors. eta vs tors. theta energy: -95.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1188.323767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.323767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.323767 (E_RNA) where: Base-Base interactions energy: -815.422 where: short stacking energy: -339.228 Base-Backbone interact. energy: -3.567 local terms energy: -369.334960 where: bonds (distance) C4'-P energy: -69.212 bonds (distance) P-C4' energy: -78.519 flat angles C4'-P-C4' energy: -82.846 flat angles P-C4'-P energy: -52.876 tors. eta vs tors. theta energy: -85.882 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: 8, replica: 7 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1077.916891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.916891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.916891 (E_RNA) where: Base-Base interactions energy: -742.794 where: short stacking energy: -319.895 Base-Backbone interact. energy: -1.936 local terms energy: -333.186627 where: bonds (distance) C4'-P energy: -55.038 bonds (distance) P-C4' energy: -74.986 flat angles C4'-P-C4' energy: -84.492 flat angles P-C4'-P energy: -46.047 tors. eta vs tors. theta energy: -72.624 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: 5 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -755.468340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.468340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.468340 (E_RNA) where: Base-Base interactions energy: -479.526 where: short stacking energy: -243.771 Base-Backbone interact. energy: 7.775 local terms energy: -283.717033 where: bonds (distance) C4'-P energy: -58.098 bonds (distance) P-C4' energy: -66.872 flat angles C4'-P-C4' energy: -63.436 flat angles P-C4'-P energy: -45.092 tors. eta vs tors. theta energy: -50.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -537.757973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.757973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.757973 (E_RNA) where: Base-Base interactions energy: -291.486 where: short stacking energy: -161.303 Base-Backbone interact. energy: -3.647 local terms energy: -242.625159 where: bonds (distance) C4'-P energy: -64.021 bonds (distance) P-C4' energy: -71.592 flat angles C4'-P-C4' energy: -47.399 flat angles P-C4'-P energy: -48.718 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: 3 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1586.411256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.411256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.411256 (E_RNA) where: Base-Base interactions energy: -1142.577 where: short stacking energy: -450.262 Base-Backbone interact. energy: -1.649 local terms energy: -442.185397 where: bonds (distance) C4'-P energy: -84.033 bonds (distance) P-C4' energy: -83.725 flat angles C4'-P-C4' energy: -96.554 flat angles P-C4'-P energy: -60.879 tors. eta vs tors. theta energy: -116.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1511.460069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.460069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.460069 (E_RNA) where: Base-Base interactions energy: -1059.918 where: short stacking energy: -472.273 Base-Backbone interact. energy: -2.631 local terms energy: -448.911397 where: bonds (distance) C4'-P energy: -83.966 bonds (distance) P-C4' energy: -71.468 flat angles C4'-P-C4' energy: -98.319 flat angles P-C4'-P energy: -62.426 tors. eta vs tors. theta energy: -132.732 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: 8 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1459.289692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.289692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.289692 (E_RNA) where: Base-Base interactions energy: -1003.175 where: short stacking energy: -441.383 Base-Backbone interact. energy: -0.582 local terms energy: -455.532114 where: bonds (distance) C4'-P energy: -85.326 bonds (distance) P-C4' energy: -90.638 flat angles C4'-P-C4' energy: -94.516 flat angles P-C4'-P energy: -62.838 tors. eta vs tors. theta energy: -122.214 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: 9 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1339.191998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.191998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.191998 (E_RNA) where: Base-Base interactions energy: -920.978 where: short stacking energy: -398.688 Base-Backbone interact. energy: -1.063 local terms energy: -417.150828 where: bonds (distance) C4'-P energy: -77.411 bonds (distance) P-C4' energy: -83.227 flat angles C4'-P-C4' energy: -82.697 flat angles P-C4'-P energy: -65.988 tors. eta vs tors. theta energy: -107.829 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: 6 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1344.654328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.654328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.654328 (E_RNA) where: Base-Base interactions energy: -942.376 where: short stacking energy: -388.810 Base-Backbone interact. energy: -0.940 local terms energy: -401.338707 where: bonds (distance) C4'-P energy: -73.664 bonds (distance) P-C4' energy: -73.963 flat angles C4'-P-C4' energy: -91.291 flat angles P-C4'-P energy: -62.940 tors. eta vs tors. theta energy: -99.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1225.895139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.895139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.895139 (E_RNA) where: Base-Base interactions energy: -843.009 where: short stacking energy: -352.816 Base-Backbone interact. energy: -2.633 local terms energy: -380.252920 where: bonds (distance) C4'-P energy: -59.962 bonds (distance) P-C4' energy: -84.264 flat angles C4'-P-C4' energy: -81.716 flat angles P-C4'-P energy: -52.444 tors. eta vs tors. theta energy: -101.867 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: 1 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1169.280210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.280210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.280210 (E_RNA) where: Base-Base interactions energy: -817.495 where: short stacking energy: -345.248 Base-Backbone interact. energy: -2.743 local terms energy: -349.042022 where: bonds (distance) C4'-P energy: -63.674 bonds (distance) P-C4' energy: -76.990 flat angles C4'-P-C4' energy: -80.294 flat angles P-C4'-P energy: -45.967 tors. eta vs tors. theta energy: -82.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1153.195931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.195931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.195931 (E_RNA) where: Base-Base interactions energy: -799.529 where: short stacking energy: -333.938 Base-Backbone interact. energy: -0.732 local terms energy: -352.934639 where: bonds (distance) C4'-P energy: -72.462 bonds (distance) P-C4' energy: -67.788 flat angles C4'-P-C4' energy: -82.243 flat angles P-C4'-P energy: -54.897 tors. eta vs tors. theta energy: -75.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -711.589264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.589264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.589264 (E_RNA) where: Base-Base interactions energy: -437.558 where: short stacking energy: -207.638 Base-Backbone interact. energy: -2.563 local terms energy: -271.468309 where: bonds (distance) C4'-P energy: -64.482 bonds (distance) P-C4' energy: -69.847 flat angles C4'-P-C4' energy: -62.475 flat angles P-C4'-P energy: -43.089 tors. eta vs tors. theta energy: -31.575 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: 4 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -516.498613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.498613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.498613 (E_RNA) where: Base-Base interactions energy: -283.155 where: short stacking energy: -136.347 Base-Backbone interact. energy: -2.466 local terms energy: -230.877361 where: bonds (distance) C4'-P energy: -64.834 bonds (distance) P-C4' energy: -74.643 flat angles C4'-P-C4' energy: -61.918 flat angles P-C4'-P energy: -35.347 tors. eta vs tors. theta energy: 5.864 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: 3 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1595.405832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.405832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.405832 (E_RNA) where: Base-Base interactions energy: -1138.544 where: short stacking energy: -448.049 Base-Backbone interact. energy: -1.894 local terms energy: -454.968370 where: bonds (distance) C4'-P energy: -85.238 bonds (distance) P-C4' energy: -92.379 flat angles C4'-P-C4' energy: -93.980 flat angles P-C4'-P energy: -67.316 tors. eta vs tors. theta energy: -116.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1486.894146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.894146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.894146 (E_RNA) where: Base-Base interactions energy: -1024.620 where: short stacking energy: -449.674 Base-Backbone interact. energy: -1.728 local terms energy: -460.546639 where: bonds (distance) C4'-P energy: -85.617 bonds (distance) P-C4' energy: -77.097 flat angles C4'-P-C4' energy: -103.396 flat angles P-C4'-P energy: -67.764 tors. eta vs tors. theta energy: -126.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1468.198490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.198490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.198490 (E_RNA) where: Base-Base interactions energy: -1041.685 where: short stacking energy: -445.005 Base-Backbone interact. energy: 0.376 local terms energy: -426.889183 where: bonds (distance) C4'-P energy: -74.852 bonds (distance) P-C4' energy: -79.685 flat angles C4'-P-C4' energy: -87.657 flat angles P-C4'-P energy: -65.463 tors. eta vs tors. theta energy: -119.232 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: 4, replica: 9 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1326.770772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.770772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.770772 (E_RNA) where: Base-Base interactions energy: -914.938 where: short stacking energy: -404.553 Base-Backbone interact. energy: 0.530 local terms energy: -412.362658 where: bonds (distance) C4'-P energy: -68.771 bonds (distance) P-C4' energy: -80.983 flat angles C4'-P-C4' energy: -89.860 flat angles P-C4'-P energy: -63.064 tors. eta vs tors. theta energy: -109.685 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: 6 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -1346.232425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.232425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.232425 (E_RNA) where: Base-Base interactions energy: -937.810 where: short stacking energy: -376.390 Base-Backbone interact. energy: -3.481 local terms energy: -404.941691 where: bonds (distance) C4'-P energy: -72.105 bonds (distance) P-C4' energy: -83.585 flat angles C4'-P-C4' energy: -89.231 flat angles P-C4'-P energy: -55.872 tors. eta vs tors. theta energy: -104.148 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: 10 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -1236.057450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.057450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.057450 (E_RNA) where: Base-Base interactions energy: -861.275 where: short stacking energy: -370.253 Base-Backbone interact. energy: 0.410 local terms energy: -375.192164 where: bonds (distance) C4'-P energy: -70.153 bonds (distance) P-C4' energy: -66.926 flat angles C4'-P-C4' energy: -85.953 flat angles P-C4'-P energy: -47.490 tors. eta vs tors. theta energy: -104.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1175.856517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.856517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.856517 (E_RNA) where: Base-Base interactions energy: -801.768 where: short stacking energy: -337.404 Base-Backbone interact. energy: 1.019 local terms energy: -375.106745 where: bonds (distance) C4'-P energy: -76.166 bonds (distance) P-C4' energy: -67.641 flat angles C4'-P-C4' energy: -93.111 flat angles P-C4'-P energy: -46.852 tors. eta vs tors. theta energy: -91.336 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: 7 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1104.067188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.067188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.067188 (E_RNA) where: Base-Base interactions energy: -749.884 where: short stacking energy: -339.111 Base-Backbone interact. energy: -1.483 local terms energy: -352.700201 where: bonds (distance) C4'-P energy: -67.294 bonds (distance) P-C4' energy: -80.429 flat angles C4'-P-C4' energy: -73.011 flat angles P-C4'-P energy: -49.171 tors. eta vs tors. theta energy: -82.795 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: 5 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -740.992129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.992129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.992129 (E_RNA) where: Base-Base interactions energy: -462.785 where: short stacking energy: -202.624 Base-Backbone interact. energy: -0.936 local terms energy: -277.271117 where: bonds (distance) C4'-P energy: -62.945 bonds (distance) P-C4' energy: -77.382 flat angles C4'-P-C4' energy: -65.586 flat angles P-C4'-P energy: -48.692 tors. eta vs tors. theta energy: -22.666 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: 4 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -548.752058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.752058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.752058 (E_RNA) where: Base-Base interactions energy: -314.442 where: short stacking energy: -151.195 Base-Backbone interact. energy: -2.539 local terms energy: -231.770426 where: bonds (distance) C4'-P energy: -74.855 bonds (distance) P-C4' energy: -71.192 flat angles C4'-P-C4' energy: -70.194 flat angles P-C4'-P energy: -21.605 tors. eta vs tors. theta energy: 6.075 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: 3 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1585.554168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.554168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.554168 (E_RNA) where: Base-Base interactions energy: -1131.972 where: short stacking energy: -464.098 Base-Backbone interact. energy: -0.936 local terms energy: -452.645803 where: bonds (distance) C4'-P energy: -75.942 bonds (distance) P-C4' energy: -90.010 flat angles C4'-P-C4' energy: -94.255 flat angles P-C4'-P energy: -73.724 tors. eta vs tors. theta energy: -118.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1495.312377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.312377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.312377 (E_RNA) where: Base-Base interactions energy: -1033.875 where: short stacking energy: -460.941 Base-Backbone interact. energy: -2.486 local terms energy: -458.951325 where: bonds (distance) C4'-P energy: -81.861 bonds (distance) P-C4' energy: -79.040 flat angles C4'-P-C4' energy: -98.679 flat angles P-C4'-P energy: -69.675 tors. eta vs tors. theta energy: -129.697 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: 357 Temperature: 1.000000 Total energy: -1454.310133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.310133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.310133 (E_RNA) where: Base-Base interactions energy: -1004.154 where: short stacking energy: -431.613 Base-Backbone interact. energy: -2.740 local terms energy: -447.415652 where: bonds (distance) C4'-P energy: -80.725 bonds (distance) P-C4' energy: -76.238 flat angles C4'-P-C4' energy: -88.639 flat angles P-C4'-P energy: -68.436 tors. eta vs tors. theta energy: -133.378 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: 6 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1389.831110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.831110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.831110 (E_RNA) where: Base-Base interactions energy: -968.905 where: short stacking energy: -421.530 Base-Backbone interact. energy: -0.453 local terms energy: -420.473676 where: bonds (distance) C4'-P energy: -75.967 bonds (distance) P-C4' energy: -72.860 flat angles C4'-P-C4' energy: -96.768 flat angles P-C4'-P energy: -50.967 tors. eta vs tors. theta energy: -123.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1322.640649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.640649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.640649 (E_RNA) where: Base-Base interactions energy: -929.214 where: short stacking energy: -395.444 Base-Backbone interact. energy: -4.108 local terms energy: -389.318007 where: bonds (distance) C4'-P energy: -63.200 bonds (distance) P-C4' energy: -81.139 flat angles C4'-P-C4' energy: -91.873 flat angles P-C4'-P energy: -53.204 tors. eta vs tors. theta energy: -99.902 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: 6, replica: 10 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1257.331747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.331747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.331747 (E_RNA) where: Base-Base interactions energy: -879.246 where: short stacking energy: -383.402 Base-Backbone interact. energy: 1.754 local terms energy: -379.840041 where: bonds (distance) C4'-P energy: -79.091 bonds (distance) P-C4' energy: -66.402 flat angles C4'-P-C4' energy: -81.854 flat angles P-C4'-P energy: -52.524 tors. eta vs tors. theta energy: -99.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1165.143335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.143335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.143335 (E_RNA) where: Base-Base interactions energy: -798.857 where: short stacking energy: -335.856 Base-Backbone interact. energy: -2.056 local terms energy: -364.230054 where: bonds (distance) C4'-P energy: -85.773 bonds (distance) P-C4' energy: -66.863 flat angles C4'-P-C4' energy: -86.035 flat angles P-C4'-P energy: -39.025 tors. eta vs tors. theta energy: -86.535 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: 7 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1090.192978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.192978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.192978 (E_RNA) where: Base-Base interactions energy: -760.836 where: short stacking energy: -325.927 Base-Backbone interact. energy: -1.727 local terms energy: -327.629982 where: bonds (distance) C4'-P energy: -56.992 bonds (distance) P-C4' energy: -64.054 flat angles C4'-P-C4' energy: -83.557 flat angles P-C4'-P energy: -45.512 tors. eta vs tors. theta energy: -77.514 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: 5 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -819.116289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.116289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.116289 (E_RNA) where: Base-Base interactions energy: -506.035 where: short stacking energy: -237.135 Base-Backbone interact. energy: 2.044 local terms energy: -315.125399 where: bonds (distance) C4'-P energy: -69.228 bonds (distance) P-C4' energy: -73.632 flat angles C4'-P-C4' energy: -75.229 flat angles P-C4'-P energy: -51.857 tors. eta vs tors. theta energy: -45.179 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: 4 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -548.481060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.481060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.481060 (E_RNA) where: Base-Base interactions energy: -308.140 where: short stacking energy: -166.143 Base-Backbone interact. energy: 0.460 local terms energy: -240.801271 where: bonds (distance) C4'-P energy: -54.458 bonds (distance) P-C4' energy: -75.259 flat angles C4'-P-C4' energy: -62.033 flat angles P-C4'-P energy: -36.062 tors. eta vs tors. theta energy: -12.988 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: 3 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1588.398884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.398884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.398884 (E_RNA) where: Base-Base interactions energy: -1131.486 where: short stacking energy: -457.573 Base-Backbone interact. energy: -0.703 local terms energy: -456.209289 where: bonds (distance) C4'-P energy: -80.636 bonds (distance) P-C4' energy: -85.039 flat angles C4'-P-C4' energy: -96.929 flat angles P-C4'-P energy: -70.950 tors. eta vs tors. theta energy: -122.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1495.373235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.373235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.373235 (E_RNA) where: Base-Base interactions energy: -1040.897 where: short stacking energy: -458.030 Base-Backbone interact. energy: -3.794 local terms energy: -450.681819 where: bonds (distance) C4'-P energy: -82.439 bonds (distance) P-C4' energy: -74.593 flat angles C4'-P-C4' energy: -95.203 flat angles P-C4'-P energy: -67.321 tors. eta vs tors. theta energy: -131.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1478.986147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.986147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.986147 (E_RNA) where: Base-Base interactions energy: -1027.468 where: short stacking energy: -430.427 Base-Backbone interact. energy: 0.011 local terms energy: -451.528865 where: bonds (distance) C4'-P energy: -79.793 bonds (distance) P-C4' energy: -88.333 flat angles C4'-P-C4' energy: -95.324 flat angles P-C4'-P energy: -62.063 tors. eta vs tors. theta energy: -126.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1375.620585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.620585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.620585 (E_RNA) where: Base-Base interactions energy: -957.570 where: short stacking energy: -416.993 Base-Backbone interact. energy: -1.470 local terms energy: -416.580457 where: bonds (distance) C4'-P energy: -67.154 bonds (distance) P-C4' energy: -86.943 flat angles C4'-P-C4' energy: -86.699 flat angles P-C4'-P energy: -60.822 tors. eta vs tors. theta energy: -114.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1330.596015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.596015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.596015 (E_RNA) where: Base-Base interactions energy: -933.431 where: short stacking energy: -399.208 Base-Backbone interact. energy: -0.244 local terms energy: -396.921193 where: bonds (distance) C4'-P energy: -77.710 bonds (distance) P-C4' energy: -66.836 flat angles C4'-P-C4' energy: -82.682 flat angles P-C4'-P energy: -63.882 tors. eta vs tors. theta energy: -105.811 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: 6, replica: 10 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1177.534378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.534378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.534378 (E_RNA) where: Base-Base interactions energy: -787.564 where: short stacking energy: -368.174 Base-Backbone interact. energy: -1.675 local terms energy: -388.295910 where: bonds (distance) C4'-P energy: -69.348 bonds (distance) P-C4' energy: -85.626 flat angles C4'-P-C4' energy: -79.837 flat angles P-C4'-P energy: -52.997 tors. eta vs tors. theta energy: -100.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1160.608140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.608140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.608140 (E_RNA) where: Base-Base interactions energy: -791.898 where: short stacking energy: -332.759 Base-Backbone interact. energy: 3.747 local terms energy: -372.457483 where: bonds (distance) C4'-P energy: -83.219 bonds (distance) P-C4' energy: -66.848 flat angles C4'-P-C4' energy: -82.041 flat angles P-C4'-P energy: -54.247 tors. eta vs tors. theta energy: -86.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1089.930549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.930549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.930549 (E_RNA) where: Base-Base interactions energy: -749.358 where: short stacking energy: -316.213 Base-Backbone interact. energy: 2.045 local terms energy: -342.616727 where: bonds (distance) C4'-P energy: -61.048 bonds (distance) P-C4' energy: -76.389 flat angles C4'-P-C4' energy: -77.750 flat angles P-C4'-P energy: -37.704 tors. eta vs tors. theta energy: -89.726 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: 9, replica: 5 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -828.106276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.106276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.106276 (E_RNA) where: Base-Base interactions energy: -539.268 where: short stacking energy: -239.320 Base-Backbone interact. energy: -1.316 local terms energy: -287.521777 where: bonds (distance) C4'-P energy: -67.368 bonds (distance) P-C4' energy: -54.664 flat angles C4'-P-C4' energy: -75.165 flat angles P-C4'-P energy: -43.661 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: 10, replica: 4 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -504.117918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.117918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.117918 (E_RNA) where: Base-Base interactions energy: -280.859 where: short stacking energy: -164.219 Base-Backbone interact. energy: -0.833 local terms energy: -222.425432 where: bonds (distance) C4'-P energy: -65.304 bonds (distance) P-C4' energy: -61.376 flat angles C4'-P-C4' energy: -61.334 flat angles P-C4'-P energy: -34.997 tors. eta vs tors. theta energy: 0.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1560.610749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.610749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.610749 (E_RNA) where: Base-Base interactions energy: -1123.186 where: short stacking energy: -449.216 Base-Backbone interact. energy: -1.440 local terms energy: -435.984515 where: bonds (distance) C4'-P energy: -74.760 bonds (distance) P-C4' energy: -85.305 flat angles C4'-P-C4' energy: -94.614 flat angles P-C4'-P energy: -67.142 tors. eta vs tors. theta energy: -114.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1503.517890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.517890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.517890 (E_RNA) where: Base-Base interactions energy: -1038.845 where: short stacking energy: -447.416 Base-Backbone interact. energy: 2.274 local terms energy: -466.946727 where: bonds (distance) C4'-P energy: -90.118 bonds (distance) P-C4' energy: -89.453 flat angles C4'-P-C4' energy: -93.285 flat angles P-C4'-P energy: -68.628 tors. eta vs tors. theta energy: -125.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1468.153459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.153459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.153459 (E_RNA) where: Base-Base interactions energy: -1027.163 where: short stacking energy: -443.402 Base-Backbone interact. energy: 0.945 local terms energy: -441.935230 where: bonds (distance) C4'-P energy: -93.887 bonds (distance) P-C4' energy: -80.173 flat angles C4'-P-C4' energy: -89.413 flat angles P-C4'-P energy: -57.756 tors. eta vs tors. theta energy: -120.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1363.530797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.530797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.530797 (E_RNA) where: Base-Base interactions energy: -958.691 where: short stacking energy: -413.869 Base-Backbone interact. energy: -1.124 local terms energy: -403.715938 where: bonds (distance) C4'-P energy: -66.401 bonds (distance) P-C4' energy: -84.271 flat angles C4'-P-C4' energy: -82.316 flat angles P-C4'-P energy: -51.093 tors. eta vs tors. theta energy: -119.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1357.164601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.164601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.164601 (E_RNA) where: Base-Base interactions energy: -952.269 where: short stacking energy: -397.208 Base-Backbone interact. energy: -2.057 local terms energy: -402.838349 where: bonds (distance) C4'-P energy: -66.716 bonds (distance) P-C4' energy: -81.647 flat angles C4'-P-C4' energy: -91.744 flat angles P-C4'-P energy: -53.794 tors. eta vs tors. theta energy: -108.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1275.714266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.714266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.714266 (E_RNA) where: Base-Base interactions energy: -883.648 where: short stacking energy: -369.459 Base-Backbone interact. energy: -0.041 local terms energy: -392.025906 where: bonds (distance) C4'-P energy: -73.214 bonds (distance) P-C4' energy: -81.823 flat angles C4'-P-C4' energy: -85.238 flat angles P-C4'-P energy: -64.570 tors. eta vs tors. theta energy: -87.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1158.038690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.038690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.038690 (E_RNA) where: Base-Base interactions energy: -784.070 where: short stacking energy: -349.982 Base-Backbone interact. energy: -1.911 local terms energy: -372.058142 where: bonds (distance) C4'-P energy: -76.128 bonds (distance) P-C4' energy: -66.778 flat angles C4'-P-C4' energy: -77.341 flat angles P-C4'-P energy: -54.564 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: 8, replica: 7 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1070.252715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.252715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.252715 (E_RNA) where: Base-Base interactions energy: -746.277 where: short stacking energy: -311.500 Base-Backbone interact. energy: -3.663 local terms energy: -320.312968 where: bonds (distance) C4'-P energy: -60.598 bonds (distance) P-C4' energy: -57.582 flat angles C4'-P-C4' energy: -74.102 flat angles P-C4'-P energy: -50.285 tors. eta vs tors. theta energy: -77.746 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: 5 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -829.942752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.942752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.942752 (E_RNA) where: Base-Base interactions energy: -555.386 where: short stacking energy: -256.454 Base-Backbone interact. energy: -1.053 local terms energy: -273.503803 where: bonds (distance) C4'-P energy: -60.308 bonds (distance) P-C4' energy: -61.690 flat angles C4'-P-C4' energy: -67.812 flat angles P-C4'-P energy: -30.777 tors. eta vs tors. theta energy: -52.916 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: 4 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -478.339024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.339024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.339024 (E_RNA) where: Base-Base interactions energy: -240.990 where: short stacking energy: -125.654 Base-Backbone interact. energy: -1.935 local terms energy: -235.414435 where: bonds (distance) C4'-P energy: -61.062 bonds (distance) P-C4' energy: -76.936 flat angles C4'-P-C4' energy: -74.980 flat angles P-C4'-P energy: -32.028 tors. eta vs tors. theta energy: 9.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1527.987810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.987810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.987810 (E_RNA) where: Base-Base interactions energy: -1059.506 where: short stacking energy: -473.652 Base-Backbone interact. energy: -0.402 local terms energy: -468.080225 where: bonds (distance) C4'-P energy: -80.963 bonds (distance) P-C4' energy: -82.108 flat angles C4'-P-C4' energy: -101.105 flat angles P-C4'-P energy: -69.052 tors. eta vs tors. theta energy: -134.852 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: 2, replica: 3 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1554.567691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.567691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.567691 (E_RNA) where: Base-Base interactions energy: -1103.488 where: short stacking energy: -438.339 Base-Backbone interact. energy: -1.144 local terms energy: -449.936138 where: bonds (distance) C4'-P energy: -87.814 bonds (distance) P-C4' energy: -79.877 flat angles C4'-P-C4' energy: -99.064 flat angles P-C4'-P energy: -58.151 tors. eta vs tors. theta energy: -125.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1484.571643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.571643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.571643 (E_RNA) where: Base-Base interactions energy: -1028.589 where: short stacking energy: -424.728 Base-Backbone interact. energy: -1.196 local terms energy: -454.786323 where: bonds (distance) C4'-P energy: -84.466 bonds (distance) P-C4' energy: -78.992 flat angles C4'-P-C4' energy: -101.488 flat angles P-C4'-P energy: -65.006 tors. eta vs tors. theta energy: -124.834 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: 6 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1346.849794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.849794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.849794 (E_RNA) where: Base-Base interactions energy: -943.908 where: short stacking energy: -419.575 Base-Backbone interact. energy: -1.018 local terms energy: -401.924021 where: bonds (distance) C4'-P energy: -64.950 bonds (distance) P-C4' energy: -70.241 flat angles C4'-P-C4' energy: -93.488 flat angles P-C4'-P energy: -60.272 tors. eta vs tors. theta energy: -112.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -1354.319002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.319002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.319002 (E_RNA) where: Base-Base interactions energy: -923.191 where: short stacking energy: -407.360 Base-Backbone interact. energy: -1.804 local terms energy: -429.323980 where: bonds (distance) C4'-P energy: -85.291 bonds (distance) P-C4' energy: -72.100 flat angles C4'-P-C4' energy: -96.949 flat angles P-C4'-P energy: -63.150 tors. eta vs tors. theta energy: -111.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1224.158619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.158619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.158619 (E_RNA) where: Base-Base interactions energy: -858.629 where: short stacking energy: -360.545 Base-Backbone interact. energy: -2.303 local terms energy: -363.226338 where: bonds (distance) C4'-P energy: -74.778 bonds (distance) P-C4' energy: -67.930 flat angles C4'-P-C4' energy: -84.761 flat angles P-C4'-P energy: -57.422 tors. eta vs tors. theta energy: -78.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1157.655947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.655947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.655947 (E_RNA) where: Base-Base interactions energy: -787.340 where: short stacking energy: -351.222 Base-Backbone interact. energy: -1.384 local terms energy: -368.931955 where: bonds (distance) C4'-P energy: -71.412 bonds (distance) P-C4' energy: -72.790 flat angles C4'-P-C4' energy: -80.832 flat angles P-C4'-P energy: -56.117 tors. eta vs tors. theta energy: -87.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1097.562843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.562843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.562843 (E_RNA) where: Base-Base interactions energy: -726.848 where: short stacking energy: -316.756 Base-Backbone interact. energy: -2.110 local terms energy: -368.604247 where: bonds (distance) C4'-P energy: -68.044 bonds (distance) P-C4' energy: -68.225 flat angles C4'-P-C4' energy: -84.500 flat angles P-C4'-P energy: -55.944 tors. eta vs tors. theta energy: -91.892 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: 5 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -787.479857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.479857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.479857 (E_RNA) where: Base-Base interactions energy: -510.064 where: short stacking energy: -234.512 Base-Backbone interact. energy: -0.595 local terms energy: -276.820466 where: bonds (distance) C4'-P energy: -63.894 bonds (distance) P-C4' energy: -58.622 flat angles C4'-P-C4' energy: -68.252 flat angles P-C4'-P energy: -41.612 tors. eta vs tors. theta energy: -44.440 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: 4 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -568.855749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.855749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.855749 (E_RNA) where: Base-Base interactions energy: -308.929 where: short stacking energy: -137.811 Base-Backbone interact. energy: 3.010 local terms energy: -262.936420 where: bonds (distance) C4'-P energy: -80.619 bonds (distance) P-C4' energy: -72.256 flat angles C4'-P-C4' energy: -55.476 flat angles P-C4'-P energy: -53.479 tors. eta vs tors. theta energy: -1.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1532.110147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.110147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.110147 (E_RNA) where: Base-Base interactions energy: -1062.127 where: short stacking energy: -465.533 Base-Backbone interact. energy: -1.089 local terms energy: -468.894072 where: bonds (distance) C4'-P energy: -91.433 bonds (distance) P-C4' energy: -82.563 flat angles C4'-P-C4' energy: -94.283 flat angles P-C4'-P energy: -59.845 tors. eta vs tors. theta energy: -140.771 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: 3 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1548.168187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.168187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.168187 (E_RNA) where: Base-Base interactions energy: -1117.963 where: short stacking energy: -433.086 Base-Backbone interact. energy: -2.677 local terms energy: -427.527934 where: bonds (distance) C4'-P energy: -78.886 bonds (distance) P-C4' energy: -72.993 flat angles C4'-P-C4' energy: -100.266 flat angles P-C4'-P energy: -57.645 tors. eta vs tors. theta energy: -117.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1445.303639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.303639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.303639 (E_RNA) where: Base-Base interactions energy: -1006.496 where: short stacking energy: -453.222 Base-Backbone interact. energy: -0.320 local terms energy: -438.487465 where: bonds (distance) C4'-P energy: -65.403 bonds (distance) P-C4' energy: -89.097 flat angles C4'-P-C4' energy: -90.574 flat angles P-C4'-P energy: -61.498 tors. eta vs tors. theta energy: -131.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1383.527800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.527800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.527800 (E_RNA) where: Base-Base interactions energy: -976.195 where: short stacking energy: -423.085 Base-Backbone interact. energy: 1.201 local terms energy: -408.534474 where: bonds (distance) C4'-P energy: -76.859 bonds (distance) P-C4' energy: -69.221 flat angles C4'-P-C4' energy: -94.691 flat angles P-C4'-P energy: -58.837 tors. eta vs tors. theta energy: -108.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1350.838633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.838633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.838633 (E_RNA) where: Base-Base interactions energy: -961.365 where: short stacking energy: -398.579 Base-Backbone interact. energy: -3.518 local terms energy: -385.955557 where: bonds (distance) C4'-P energy: -79.601 bonds (distance) P-C4' energy: -66.802 flat angles C4'-P-C4' energy: -85.862 flat angles P-C4'-P energy: -55.279 tors. eta vs tors. theta energy: -98.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1250.124286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.124286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.124286 (E_RNA) where: Base-Base interactions energy: -883.154 where: short stacking energy: -357.736 Base-Backbone interact. energy: -2.572 local terms energy: -364.397579 where: bonds (distance) C4'-P energy: -72.783 bonds (distance) P-C4' energy: -82.227 flat angles C4'-P-C4' energy: -79.118 flat angles P-C4'-P energy: -50.218 tors. eta vs tors. theta energy: -80.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1165.979575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.979575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.979575 (E_RNA) where: Base-Base interactions energy: -791.404 where: short stacking energy: -358.643 Base-Backbone interact. energy: -0.328 local terms energy: -374.246901 where: bonds (distance) C4'-P energy: -72.071 bonds (distance) P-C4' energy: -75.729 flat angles C4'-P-C4' energy: -72.484 flat angles P-C4'-P energy: -56.068 tors. eta vs tors. theta energy: -97.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1085.544383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.544383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.544383 (E_RNA) where: Base-Base interactions energy: -748.493 where: short stacking energy: -333.782 Base-Backbone interact. energy: 3.023 local terms energy: -340.074303 where: bonds (distance) C4'-P energy: -68.876 bonds (distance) P-C4' energy: -64.853 flat angles C4'-P-C4' energy: -81.315 flat angles P-C4'-P energy: -39.828 tors. eta vs tors. theta energy: -85.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -805.783304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.783304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.783304 (E_RNA) where: Base-Base interactions energy: -533.516 where: short stacking energy: -247.760 Base-Backbone interact. energy: -0.618 local terms energy: -271.649296 where: bonds (distance) C4'-P energy: -67.833 bonds (distance) P-C4' energy: -62.974 flat angles C4'-P-C4' energy: -54.890 flat angles P-C4'-P energy: -36.153 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: 10, replica: 4 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -543.916313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.916313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.916313 (E_RNA) where: Base-Base interactions energy: -264.885 where: short stacking energy: -126.308 Base-Backbone interact. energy: -0.754 local terms energy: -278.277078 where: bonds (distance) C4'-P energy: -69.367 bonds (distance) P-C4' energy: -79.165 flat angles C4'-P-C4' energy: -67.983 flat angles P-C4'-P energy: -38.877 tors. eta vs tors. theta energy: -22.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1525.351620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.351620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.351620 (E_RNA) where: Base-Base interactions energy: -1050.372 where: short stacking energy: -465.073 Base-Backbone interact. energy: -0.527 local terms energy: -474.452487 where: bonds (distance) C4'-P energy: -87.920 bonds (distance) P-C4' energy: -81.678 flat angles C4'-P-C4' energy: -98.892 flat angles P-C4'-P energy: -66.913 tors. eta vs tors. theta energy: -139.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1561.247029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.247029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.247029 (E_RNA) where: Base-Base interactions energy: -1109.075 where: short stacking energy: -452.006 Base-Backbone interact. energy: 2.692 local terms energy: -454.863480 where: bonds (distance) C4'-P energy: -76.820 bonds (distance) P-C4' energy: -80.782 flat angles C4'-P-C4' energy: -97.794 flat angles P-C4'-P energy: -75.443 tors. eta vs tors. theta energy: -124.024 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: 2 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1455.765003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.765003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.765003 (E_RNA) where: Base-Base interactions energy: -1020.006 where: short stacking energy: -447.357 Base-Backbone interact. energy: -0.573 local terms energy: -435.185914 where: bonds (distance) C4'-P energy: -82.074 bonds (distance) P-C4' energy: -79.252 flat angles C4'-P-C4' energy: -94.285 flat angles P-C4'-P energy: -50.186 tors. eta vs tors. theta energy: -129.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1402.336304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.336304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.336304 (E_RNA) where: Base-Base interactions energy: -979.987 where: short stacking energy: -429.445 Base-Backbone interact. energy: -3.697 local terms energy: -418.651633 where: bonds (distance) C4'-P energy: -71.817 bonds (distance) P-C4' energy: -80.017 flat angles C4'-P-C4' energy: -92.807 flat angles P-C4'-P energy: -56.463 tors. eta vs tors. theta energy: -117.548 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: 6 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1325.243877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.243877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.243877 (E_RNA) where: Base-Base interactions energy: -924.425 where: short stacking energy: -393.025 Base-Backbone interact. energy: -0.818 local terms energy: -400.001115 where: bonds (distance) C4'-P energy: -72.515 bonds (distance) P-C4' energy: -80.462 flat angles C4'-P-C4' energy: -91.264 flat angles P-C4'-P energy: -55.421 tors. eta vs tors. theta energy: -100.340 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: 1 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1236.539669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.539669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.539669 (E_RNA) where: Base-Base interactions energy: -868.330 where: short stacking energy: -353.690 Base-Backbone interact. energy: 0.928 local terms energy: -369.137768 where: bonds (distance) C4'-P energy: -63.005 bonds (distance) P-C4' energy: -64.198 flat angles C4'-P-C4' energy: -82.865 flat angles P-C4'-P energy: -64.286 tors. eta vs tors. theta energy: -94.784 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: 7 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1129.984086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.984086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.984086 (E_RNA) where: Base-Base interactions energy: -777.444 where: short stacking energy: -355.358 Base-Backbone interact. energy: -1.332 local terms energy: -351.207573 where: bonds (distance) C4'-P energy: -74.946 bonds (distance) P-C4' energy: -71.528 flat angles C4'-P-C4' energy: -64.138 flat angles P-C4'-P energy: -57.860 tors. eta vs tors. theta energy: -82.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1054.840970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.840970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.840970 (E_RNA) where: Base-Base interactions energy: -694.122 where: short stacking energy: -325.671 Base-Backbone interact. energy: 0.046 local terms energy: -360.764680 where: bonds (distance) C4'-P energy: -74.153 bonds (distance) P-C4' energy: -71.117 flat angles C4'-P-C4' energy: -79.742 flat angles P-C4'-P energy: -50.415 tors. eta vs tors. theta energy: -85.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -838.014710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.014710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.014710 (E_RNA) where: Base-Base interactions energy: -532.595 where: short stacking energy: -236.416 Base-Backbone interact. energy: -0.871 local terms energy: -304.548360 where: bonds (distance) C4'-P energy: -54.054 bonds (distance) P-C4' energy: -80.395 flat angles C4'-P-C4' energy: -72.700 flat angles P-C4'-P energy: -44.392 tors. eta vs tors. theta energy: -53.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -485.101930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.101930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.101930 (E_RNA) where: Base-Base interactions energy: -256.985 where: short stacking energy: -156.367 Base-Backbone interact. energy: -0.316 local terms energy: -227.801029 where: bonds (distance) C4'-P energy: -67.889 bonds (distance) P-C4' energy: -63.171 flat angles C4'-P-C4' energy: -59.266 flat angles P-C4'-P energy: -46.438 tors. eta vs tors. theta energy: 8.963 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: 8 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1520.894006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.894006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.894006 (E_RNA) where: Base-Base interactions energy: -1056.433 where: short stacking energy: -467.205 Base-Backbone interact. energy: -3.059 local terms energy: -461.401993 where: bonds (distance) C4'-P energy: -86.269 bonds (distance) P-C4' energy: -80.644 flat angles C4'-P-C4' energy: -91.791 flat angles P-C4'-P energy: -66.935 tors. eta vs tors. theta energy: -135.762 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: 3 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1551.953998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.953998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.953998 (E_RNA) where: Base-Base interactions energy: -1113.102 where: short stacking energy: -454.350 Base-Backbone interact. energy: 0.907 local terms energy: -439.758788 where: bonds (distance) C4'-P energy: -73.390 bonds (distance) P-C4' energy: -83.251 flat angles C4'-P-C4' energy: -89.660 flat angles P-C4'-P energy: -63.904 tors. eta vs tors. theta energy: -129.553 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: 3, replica: 2 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1481.795105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.795105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.795105 (E_RNA) where: Base-Base interactions energy: -1041.755 where: short stacking energy: -458.839 Base-Backbone interact. energy: -1.509 local terms energy: -438.530990 where: bonds (distance) C4'-P energy: -70.878 bonds (distance) P-C4' energy: -80.609 flat angles C4'-P-C4' energy: -97.315 flat angles P-C4'-P energy: -67.197 tors. eta vs tors. theta energy: -122.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1397.208671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.208671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.208671 (E_RNA) where: Base-Base interactions energy: -970.335 where: short stacking energy: -425.401 Base-Backbone interact. energy: -0.896 local terms energy: -425.978023 where: bonds (distance) C4'-P energy: -72.708 bonds (distance) P-C4' energy: -79.983 flat angles C4'-P-C4' energy: -95.793 flat angles P-C4'-P energy: -61.618 tors. eta vs tors. theta energy: -115.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1322.714908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.714908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.714908 (E_RNA) where: Base-Base interactions energy: -920.952 where: short stacking energy: -383.936 Base-Backbone interact. energy: -1.525 local terms energy: -400.237988 where: bonds (distance) C4'-P energy: -72.973 bonds (distance) P-C4' energy: -72.201 flat angles C4'-P-C4' energy: -91.375 flat angles P-C4'-P energy: -50.937 tors. eta vs tors. theta energy: -112.752 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: 1 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1216.087598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.087598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.087598 (E_RNA) where: Base-Base interactions energy: -868.309 where: short stacking energy: -360.365 Base-Backbone interact. energy: 5.004 local terms energy: -352.782185 where: bonds (distance) C4'-P energy: -70.456 bonds (distance) P-C4' energy: -63.407 flat angles C4'-P-C4' energy: -78.614 flat angles P-C4'-P energy: -52.013 tors. eta vs tors. theta energy: -88.292 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: 7, replica: 7 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1162.810377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.810377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.810377 (E_RNA) where: Base-Base interactions energy: -797.516 where: short stacking energy: -363.489 Base-Backbone interact. energy: -2.668 local terms energy: -362.626422 where: bonds (distance) C4'-P energy: -69.017 bonds (distance) P-C4' energy: -79.674 flat angles C4'-P-C4' energy: -80.950 flat angles P-C4'-P energy: -40.991 tors. eta vs tors. theta energy: -91.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1049.922357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.922357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.922357 (E_RNA) where: Base-Base interactions energy: -701.568 where: short stacking energy: -286.114 Base-Backbone interact. energy: 0.605 local terms energy: -348.958448 where: bonds (distance) C4'-P energy: -76.725 bonds (distance) P-C4' energy: -77.031 flat angles C4'-P-C4' energy: -70.537 flat angles P-C4'-P energy: -54.642 tors. eta vs tors. theta energy: -70.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -821.537911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.537911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.537911 (E_RNA) where: Base-Base interactions energy: -526.515 where: short stacking energy: -236.378 Base-Backbone interact. energy: 2.034 local terms energy: -297.057290 where: bonds (distance) C4'-P energy: -58.018 bonds (distance) P-C4' energy: -67.035 flat angles C4'-P-C4' energy: -80.916 flat angles P-C4'-P energy: -36.766 tors. eta vs tors. theta energy: -54.322 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: 4 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -542.271249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.271249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.271249 (E_RNA) where: Base-Base interactions energy: -289.097 where: short stacking energy: -169.088 Base-Backbone interact. energy: 1.421 local terms energy: -254.594935 where: bonds (distance) C4'-P energy: -57.840 bonds (distance) P-C4' energy: -78.687 flat angles C4'-P-C4' energy: -63.967 flat angles P-C4'-P energy: -49.144 tors. eta vs tors. theta energy: -4.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1574.362965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.362965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.362965 (E_RNA) where: Base-Base interactions energy: -1109.537 where: short stacking energy: -434.865 Base-Backbone interact. energy: -0.958 local terms energy: -463.868829 where: bonds (distance) C4'-P energy: -88.227 bonds (distance) P-C4' energy: -89.736 flat angles C4'-P-C4' energy: -97.051 flat angles P-C4'-P energy: -64.957 tors. eta vs tors. theta energy: -123.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1500.225831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.225831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.225831 (E_RNA) where: Base-Base interactions energy: -1062.431 where: short stacking energy: -447.031 Base-Backbone interact. energy: -2.029 local terms energy: -435.765348 where: bonds (distance) C4'-P energy: -79.984 bonds (distance) P-C4' energy: -81.500 flat angles C4'-P-C4' energy: -97.820 flat angles P-C4'-P energy: -61.671 tors. eta vs tors. theta energy: -114.790 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: 3, replica: 2 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1474.902902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.902902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.902902 (E_RNA) where: Base-Base interactions energy: -1005.078 where: short stacking energy: -444.457 Base-Backbone interact. energy: 0.928 local terms energy: -470.753014 where: bonds (distance) C4'-P energy: -86.160 bonds (distance) P-C4' energy: -102.336 flat angles C4'-P-C4' energy: -97.705 flat angles P-C4'-P energy: -64.039 tors. eta vs tors. theta energy: -120.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1415.230736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.230736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.230736 (E_RNA) where: Base-Base interactions energy: -983.939 where: short stacking energy: -448.466 Base-Backbone interact. energy: -1.635 local terms energy: -429.656878 where: bonds (distance) C4'-P energy: -82.157 bonds (distance) P-C4' energy: -85.900 flat angles C4'-P-C4' energy: -86.292 flat angles P-C4'-P energy: -51.929 tors. eta vs tors. theta energy: -123.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1335.759330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.759330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.759330 (E_RNA) where: Base-Base interactions energy: -950.645 where: short stacking energy: -395.698 Base-Backbone interact. energy: -2.398 local terms energy: -382.716494 where: bonds (distance) C4'-P energy: -79.239 bonds (distance) P-C4' energy: -68.756 flat angles C4'-P-C4' energy: -86.053 flat angles P-C4'-P energy: -52.713 tors. eta vs tors. theta energy: -95.956 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: 6, replica: 1 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1218.547405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.547405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.547405 (E_RNA) where: Base-Base interactions energy: -859.243 where: short stacking energy: -362.990 Base-Backbone interact. energy: -1.779 local terms energy: -357.524693 where: bonds (distance) C4'-P energy: -65.250 bonds (distance) P-C4' energy: -82.755 flat angles C4'-P-C4' energy: -84.369 flat angles P-C4'-P energy: -45.916 tors. eta vs tors. theta energy: -79.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1168.579422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.579422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.579422 (E_RNA) where: Base-Base interactions energy: -803.131 where: short stacking energy: -343.059 Base-Backbone interact. energy: -0.206 local terms energy: -365.243328 where: bonds (distance) C4'-P energy: -71.652 bonds (distance) P-C4' energy: -75.640 flat angles C4'-P-C4' energy: -79.619 flat angles P-C4'-P energy: -53.711 tors. eta vs tors. theta energy: -84.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1066.979534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.979534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.979534 (E_RNA) where: Base-Base interactions energy: -733.815 where: short stacking energy: -328.384 Base-Backbone interact. energy: -2.249 local terms energy: -330.915038 where: bonds (distance) C4'-P energy: -70.973 bonds (distance) P-C4' energy: -70.793 flat angles C4'-P-C4' energy: -68.734 flat angles P-C4'-P energy: -47.694 tors. eta vs tors. theta energy: -72.722 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: 5 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -852.525563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.525563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.525563 (E_RNA) where: Base-Base interactions energy: -541.671 where: short stacking energy: -247.769 Base-Backbone interact. energy: -1.751 local terms energy: -309.103532 where: bonds (distance) C4'-P energy: -44.298 bonds (distance) P-C4' energy: -87.658 flat angles C4'-P-C4' energy: -76.546 flat angles P-C4'-P energy: -44.721 tors. eta vs tors. theta energy: -55.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -500.772607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.772607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.772607 (E_RNA) where: Base-Base interactions energy: -284.879 where: short stacking energy: -144.201 Base-Backbone interact. energy: -0.547 local terms energy: -215.346289 where: bonds (distance) C4'-P energy: -47.213 bonds (distance) P-C4' energy: -67.738 flat angles C4'-P-C4' energy: -62.129 flat angles P-C4'-P energy: -39.665 tors. eta vs tors. theta energy: 1.399 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: 1, replica: 3 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1587.002149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.002149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.002149 (E_RNA) where: Base-Base interactions energy: -1117.521 where: short stacking energy: -440.239 Base-Backbone interact. energy: -0.336 local terms energy: -469.144905 where: bonds (distance) C4'-P energy: -88.208 bonds (distance) P-C4' energy: -89.674 flat angles C4'-P-C4' energy: -100.313 flat angles P-C4'-P energy: -69.412 tors. eta vs tors. theta energy: -121.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1513.473918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.473918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.473918 (E_RNA) where: Base-Base interactions energy: -1075.722 where: short stacking energy: -440.013 Base-Backbone interact. energy: 1.149 local terms energy: -438.901251 where: bonds (distance) C4'-P energy: -82.018 bonds (distance) P-C4' energy: -80.690 flat angles C4'-P-C4' energy: -86.746 flat angles P-C4'-P energy: -69.064 tors. eta vs tors. theta energy: -120.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1467.558042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.558042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.558042 (E_RNA) where: Base-Base interactions energy: -1019.460 where: short stacking energy: -458.867 Base-Backbone interact. energy: -2.710 local terms energy: -445.387519 where: bonds (distance) C4'-P energy: -73.449 bonds (distance) P-C4' energy: -80.246 flat angles C4'-P-C4' energy: -91.991 flat angles P-C4'-P energy: -64.535 tors. eta vs tors. theta energy: -135.167 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: 4, replica: 9 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1410.994183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.994183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.994183 (E_RNA) where: Base-Base interactions energy: -971.947 where: short stacking energy: -440.805 Base-Backbone interact. energy: -0.199 local terms energy: -438.848070 where: bonds (distance) C4'-P energy: -81.118 bonds (distance) P-C4' energy: -86.802 flat angles C4'-P-C4' energy: -85.502 flat angles P-C4'-P energy: -66.640 tors. eta vs tors. theta energy: -118.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1340.140337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.140337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.140337 (E_RNA) where: Base-Base interactions energy: -929.851 where: short stacking energy: -407.918 Base-Backbone interact. energy: -0.980 local terms energy: -409.309463 where: bonds (distance) C4'-P energy: -74.224 bonds (distance) P-C4' energy: -78.110 flat angles C4'-P-C4' energy: -91.500 flat angles P-C4'-P energy: -56.494 tors. eta vs tors. theta energy: -108.981 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: 1 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1251.413442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.413442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.413442 (E_RNA) where: Base-Base interactions energy: -891.391 where: short stacking energy: -371.087 Base-Backbone interact. energy: -0.932 local terms energy: -359.089457 where: bonds (distance) C4'-P energy: -66.856 bonds (distance) P-C4' energy: -74.243 flat angles C4'-P-C4' energy: -80.020 flat angles P-C4'-P energy: -47.733 tors. eta vs tors. theta energy: -90.237 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: 7, replica: 7 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1198.271500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.271500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.271500 (E_RNA) where: Base-Base interactions energy: -826.652 where: short stacking energy: -338.708 Base-Backbone interact. energy: 1.911 local terms energy: -373.531084 where: bonds (distance) C4'-P energy: -74.370 bonds (distance) P-C4' energy: -73.825 flat angles C4'-P-C4' energy: -76.511 flat angles P-C4'-P energy: -53.417 tors. eta vs tors. theta energy: -95.408 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: 8, replica: 10 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1069.185471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.185471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.185471 (E_RNA) where: Base-Base interactions energy: -720.273 where: short stacking energy: -319.987 Base-Backbone interact. energy: -2.108 local terms energy: -346.804757 where: bonds (distance) C4'-P energy: -65.638 bonds (distance) P-C4' energy: -80.717 flat angles C4'-P-C4' energy: -75.331 flat angles P-C4'-P energy: -41.725 tors. eta vs tors. theta energy: -83.393 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: 5 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -821.327102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.327102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.327102 (E_RNA) where: Base-Base interactions energy: -528.405 where: short stacking energy: -242.888 Base-Backbone interact. energy: -0.388 local terms energy: -292.534539 where: bonds (distance) C4'-P energy: -65.048 bonds (distance) P-C4' energy: -69.774 flat angles C4'-P-C4' energy: -69.662 flat angles P-C4'-P energy: -47.836 tors. eta vs tors. theta energy: -40.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -500.907965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.907965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.907965 (E_RNA) where: Base-Base interactions energy: -267.814 where: short stacking energy: -157.308 Base-Backbone interact. energy: -2.061 local terms energy: -231.032721 where: bonds (distance) C4'-P energy: -69.554 bonds (distance) P-C4' energy: -74.142 flat angles C4'-P-C4' energy: -65.929 flat angles P-C4'-P energy: -19.443 tors. eta vs tors. theta energy: -1.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1550.425085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.425085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.425085 (E_RNA) where: Base-Base interactions energy: -1102.626 where: short stacking energy: -435.706 Base-Backbone interact. energy: -0.173 local terms energy: -447.626574 where: bonds (distance) C4'-P energy: -84.772 bonds (distance) P-C4' energy: -84.982 flat angles C4'-P-C4' energy: -91.256 flat angles P-C4'-P energy: -67.657 tors. eta vs tors. theta energy: -118.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1486.045265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.045265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.045265 (E_RNA) where: Base-Base interactions energy: -1038.100 where: short stacking energy: -448.295 Base-Backbone interact. energy: -2.587 local terms energy: -445.357873 where: bonds (distance) C4'-P energy: -82.563 bonds (distance) P-C4' energy: -82.490 flat angles C4'-P-C4' energy: -92.270 flat angles P-C4'-P energy: -68.965 tors. eta vs tors. theta energy: -119.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1446.813207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.813207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.813207 (E_RNA) where: Base-Base interactions energy: -1010.620 where: short stacking energy: -451.521 Base-Backbone interact. energy: -0.867 local terms energy: -435.326648 where: bonds (distance) C4'-P energy: -83.295 bonds (distance) P-C4' energy: -91.895 flat angles C4'-P-C4' energy: -81.159 flat angles P-C4'-P energy: -62.091 tors. eta vs tors. theta energy: -116.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1430.995397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.995397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.995397 (E_RNA) where: Base-Base interactions energy: -1011.617 where: short stacking energy: -448.236 Base-Backbone interact. energy: -2.304 local terms energy: -417.074227 where: bonds (distance) C4'-P energy: -57.728 bonds (distance) P-C4' energy: -75.021 flat angles C4'-P-C4' energy: -93.017 flat angles P-C4'-P energy: -59.549 tors. eta vs tors. theta energy: -131.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1340.639707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.639707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.639707 (E_RNA) where: Base-Base interactions energy: -937.741 where: short stacking energy: -386.882 Base-Backbone interact. energy: 0.113 local terms energy: -403.011561 where: bonds (distance) C4'-P energy: -77.073 bonds (distance) P-C4' energy: -71.466 flat angles C4'-P-C4' energy: -91.012 flat angles P-C4'-P energy: -60.169 tors. eta vs tors. theta energy: -103.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1203.878630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.878630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.878630 (E_RNA) where: Base-Base interactions energy: -823.551 where: short stacking energy: -356.073 Base-Backbone interact. energy: -1.507 local terms energy: -378.821159 where: bonds (distance) C4'-P energy: -64.659 bonds (distance) P-C4' energy: -78.832 flat angles C4'-P-C4' energy: -87.097 flat angles P-C4'-P energy: -53.792 tors. eta vs tors. theta energy: -94.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1196.494781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.494781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.494781 (E_RNA) where: Base-Base interactions energy: -813.350 where: short stacking energy: -340.878 Base-Backbone interact. energy: -1.841 local terms energy: -381.303313 where: bonds (distance) C4'-P energy: -68.788 bonds (distance) P-C4' energy: -81.281 flat angles C4'-P-C4' energy: -80.070 flat angles P-C4'-P energy: -58.561 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: 8, replica: 10 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1044.583246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.583246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.583246 (E_RNA) where: Base-Base interactions energy: -693.014 where: short stacking energy: -298.718 Base-Backbone interact. energy: -1.556 local terms energy: -350.012893 where: bonds (distance) C4'-P energy: -65.424 bonds (distance) P-C4' energy: -76.366 flat angles C4'-P-C4' energy: -76.120 flat angles P-C4'-P energy: -49.036 tors. eta vs tors. theta energy: -83.067 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: 5 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -847.554059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.554059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.554059 (E_RNA) where: Base-Base interactions energy: -555.707 where: short stacking energy: -264.422 Base-Backbone interact. energy: -1.099 local terms energy: -290.748301 where: bonds (distance) C4'-P energy: -56.076 bonds (distance) P-C4' energy: -72.053 flat angles C4'-P-C4' energy: -66.790 flat angles P-C4'-P energy: -35.735 tors. eta vs tors. theta energy: -60.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -483.201561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.201561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.201561 (E_RNA) where: Base-Base interactions energy: -250.446 where: short stacking energy: -141.287 Base-Backbone interact. energy: -1.266 local terms energy: -231.489687 where: bonds (distance) C4'-P energy: -58.692 bonds (distance) P-C4' energy: -88.808 flat angles C4'-P-C4' energy: -55.315 flat angles P-C4'-P energy: -30.361 tors. eta vs tors. theta energy: 1.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1571.896914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.896914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.896914 (E_RNA) where: Base-Base interactions energy: -1113.054 where: short stacking energy: -441.070 Base-Backbone interact. energy: -0.725 local terms energy: -458.117692 where: bonds (distance) C4'-P energy: -82.508 bonds (distance) P-C4' energy: -96.477 flat angles C4'-P-C4' energy: -90.036 flat angles P-C4'-P energy: -68.687 tors. eta vs tors. theta energy: -120.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1519.653911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.653911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.653911 (E_RNA) where: Base-Base interactions energy: -1076.896 where: short stacking energy: -438.052 Base-Backbone interact. energy: -1.051 local terms energy: -441.706956 where: bonds (distance) C4'-P energy: -81.847 bonds (distance) P-C4' energy: -82.036 flat angles C4'-P-C4' energy: -92.972 flat angles P-C4'-P energy: -66.848 tors. eta vs tors. theta energy: -118.004 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: 9 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1440.621409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.621409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.621409 (E_RNA) where: Base-Base interactions energy: -1020.042 where: short stacking energy: -414.351 Base-Backbone interact. energy: -0.871 local terms energy: -419.708502 where: bonds (distance) C4'-P energy: -75.214 bonds (distance) P-C4' energy: -89.053 flat angles C4'-P-C4' energy: -92.526 flat angles P-C4'-P energy: -53.390 tors. eta vs tors. theta energy: -109.526 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: 2 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1439.393945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.393945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.393945 (E_RNA) where: Base-Base interactions energy: -985.283 where: short stacking energy: -423.395 Base-Backbone interact. energy: -3.078 local terms energy: -451.033100 where: bonds (distance) C4'-P energy: -73.427 bonds (distance) P-C4' energy: -94.456 flat angles C4'-P-C4' energy: -90.324 flat angles P-C4'-P energy: -65.506 tors. eta vs tors. theta energy: -127.320 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: 5, replica: 6 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1361.393495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.393495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.393495 (E_RNA) where: Base-Base interactions energy: -944.423 where: short stacking energy: -396.747 Base-Backbone interact. energy: -2.230 local terms energy: -414.740184 where: bonds (distance) C4'-P energy: -68.256 bonds (distance) P-C4' energy: -79.267 flat angles C4'-P-C4' energy: -92.879 flat angles P-C4'-P energy: -57.662 tors. eta vs tors. theta energy: -116.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1230.751385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.751385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.751385 (E_RNA) where: Base-Base interactions energy: -847.838 where: short stacking energy: -367.768 Base-Backbone interact. energy: -2.129 local terms energy: -380.785082 where: bonds (distance) C4'-P energy: -69.074 bonds (distance) P-C4' energy: -79.147 flat angles C4'-P-C4' energy: -78.800 flat angles P-C4'-P energy: -66.465 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: 7, replica: 7 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1230.927880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.927880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.927880 (E_RNA) where: Base-Base interactions energy: -872.717 where: short stacking energy: -378.593 Base-Backbone interact. energy: -0.616 local terms energy: -357.594836 where: bonds (distance) C4'-P energy: -63.922 bonds (distance) P-C4' energy: -76.415 flat angles C4'-P-C4' energy: -82.947 flat angles P-C4'-P energy: -36.337 tors. eta vs tors. theta energy: -97.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1096.939213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.939213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.939213 (E_RNA) where: Base-Base interactions energy: -735.438 where: short stacking energy: -319.419 Base-Backbone interact. energy: 0.835 local terms energy: -362.336830 where: bonds (distance) C4'-P energy: -82.924 bonds (distance) P-C4' energy: -71.262 flat angles C4'-P-C4' energy: -76.828 flat angles P-C4'-P energy: -48.084 tors. eta vs tors. theta energy: -83.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -804.542792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.542792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.542792 (E_RNA) where: Base-Base interactions energy: -521.894 where: short stacking energy: -239.623 Base-Backbone interact. energy: -1.350 local terms energy: -281.297856 where: bonds (distance) C4'-P energy: -62.609 bonds (distance) P-C4' energy: -65.083 flat angles C4'-P-C4' energy: -76.824 flat angles P-C4'-P energy: -40.871 tors. eta vs tors. theta energy: -35.910 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: 4 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -533.343652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.343652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.343652 (E_RNA) where: Base-Base interactions energy: -289.076 where: short stacking energy: -151.029 Base-Backbone interact. energy: 0.809 local terms energy: -245.076060 where: bonds (distance) C4'-P energy: -72.181 bonds (distance) P-C4' energy: -69.539 flat angles C4'-P-C4' energy: -60.965 flat angles P-C4'-P energy: -33.722 tors. eta vs tors. theta energy: -8.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1586.173547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.173547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.173547 (E_RNA) where: Base-Base interactions energy: -1150.638 where: short stacking energy: -449.623 Base-Backbone interact. energy: -1.718 local terms energy: -433.817694 where: bonds (distance) C4'-P energy: -85.728 bonds (distance) P-C4' energy: -80.082 flat angles C4'-P-C4' energy: -86.345 flat angles P-C4'-P energy: -67.763 tors. eta vs tors. theta energy: -113.900 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: 8 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1499.785139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.785139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.785139 (E_RNA) where: Base-Base interactions energy: -1076.671 where: short stacking energy: -451.286 Base-Backbone interact. energy: 0.276 local terms energy: -423.390599 where: bonds (distance) C4'-P energy: -74.342 bonds (distance) P-C4' energy: -77.093 flat angles C4'-P-C4' energy: -99.010 flat angles P-C4'-P energy: -52.459 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: 3, replica: 2 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1439.047795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.047795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.047795 (E_RNA) where: Base-Base interactions energy: -1003.018 where: short stacking energy: -432.290 Base-Backbone interact. energy: 2.355 local terms energy: -438.384679 where: bonds (distance) C4'-P energy: -75.886 bonds (distance) P-C4' energy: -91.721 flat angles C4'-P-C4' energy: -101.032 flat angles P-C4'-P energy: -53.601 tors. eta vs tors. theta energy: -116.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1416.964031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.964031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.964031 (E_RNA) where: Base-Base interactions energy: -1008.866 where: short stacking energy: -424.430 Base-Backbone interact. energy: -0.465 local terms energy: -407.632771 where: bonds (distance) C4'-P energy: -76.098 bonds (distance) P-C4' energy: -79.405 flat angles C4'-P-C4' energy: -74.952 flat angles P-C4'-P energy: -59.870 tors. eta vs tors. theta energy: -117.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1371.134204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.134204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.134204 (E_RNA) where: Base-Base interactions energy: -965.664 where: short stacking energy: -408.658 Base-Backbone interact. energy: 1.726 local terms energy: -407.196911 where: bonds (distance) C4'-P energy: -71.894 bonds (distance) P-C4' energy: -90.963 flat angles C4'-P-C4' energy: -84.498 flat angles P-C4'-P energy: -48.914 tors. eta vs tors. theta energy: -110.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1214.115978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.115978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.115978 (E_RNA) where: Base-Base interactions energy: -842.989 where: short stacking energy: -350.166 Base-Backbone interact. energy: 0.764 local terms energy: -371.891739 where: bonds (distance) C4'-P energy: -74.438 bonds (distance) P-C4' energy: -76.242 flat angles C4'-P-C4' energy: -79.975 flat angles P-C4'-P energy: -46.977 tors. eta vs tors. theta energy: -94.260 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: 7, replica: 7 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1183.328471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.328471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.328471 (E_RNA) where: Base-Base interactions energy: -817.976 where: short stacking energy: -349.001 Base-Backbone interact. energy: 3.301 local terms energy: -368.652722 where: bonds (distance) C4'-P energy: -73.892 bonds (distance) P-C4' energy: -84.503 flat angles C4'-P-C4' energy: -72.681 flat angles P-C4'-P energy: -50.893 tors. eta vs tors. theta energy: -86.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1076.876724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.876724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.876724 (E_RNA) where: Base-Base interactions energy: -758.165 where: short stacking energy: -336.669 Base-Backbone interact. energy: 2.289 local terms energy: -321.000722 where: bonds (distance) C4'-P energy: -51.902 bonds (distance) P-C4' energy: -64.754 flat angles C4'-P-C4' energy: -76.026 flat angles P-C4'-P energy: -45.230 tors. eta vs tors. theta energy: -83.089 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: 5 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -819.005658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.005658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.005658 (E_RNA) where: Base-Base interactions energy: -512.767 where: short stacking energy: -239.853 Base-Backbone interact. energy: -0.810 local terms energy: -305.428454 where: bonds (distance) C4'-P energy: -68.384 bonds (distance) P-C4' energy: -81.121 flat angles C4'-P-C4' energy: -62.484 flat angles P-C4'-P energy: -49.696 tors. eta vs tors. theta energy: -43.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -475.754582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.754582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.754582 (E_RNA) where: Base-Base interactions energy: -231.081 where: short stacking energy: -121.878 Base-Backbone interact. energy: 3.044 local terms energy: -247.718186 where: bonds (distance) C4'-P energy: -72.857 bonds (distance) P-C4' energy: -78.009 flat angles C4'-P-C4' energy: -78.381 flat angles P-C4'-P energy: -36.460 tors. eta vs tors. theta energy: 17.989 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: 369 Temperature: 0.900000 Total energy: -1578.043611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.043611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.043611 (E_RNA) where: Base-Base interactions energy: -1137.377 where: short stacking energy: -442.582 Base-Backbone interact. energy: -0.599 local terms energy: -440.067817 where: bonds (distance) C4'-P energy: -86.570 bonds (distance) P-C4' energy: -89.725 flat angles C4'-P-C4' energy: -88.784 flat angles P-C4'-P energy: -62.065 tors. eta vs tors. theta energy: -112.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1515.314332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.314332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.314332 (E_RNA) where: Base-Base interactions energy: -1071.543 where: short stacking energy: -453.056 Base-Backbone interact. energy: 2.604 local terms energy: -446.375344 where: bonds (distance) C4'-P energy: -89.250 bonds (distance) P-C4' energy: -75.420 flat angles C4'-P-C4' energy: -93.364 flat angles P-C4'-P energy: -63.205 tors. eta vs tors. theta energy: -125.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1431.747148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.747148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.747148 (E_RNA) where: Base-Base interactions energy: -987.859 where: short stacking energy: -450.149 Base-Backbone interact. energy: -1.514 local terms energy: -442.374364 where: bonds (distance) C4'-P energy: -79.389 bonds (distance) P-C4' energy: -79.390 flat angles C4'-P-C4' energy: -91.461 flat angles P-C4'-P energy: -67.906 tors. eta vs tors. theta energy: -124.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1443.547313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.547313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.547313 (E_RNA) where: Base-Base interactions energy: -1038.167 where: short stacking energy: -432.960 Base-Backbone interact. energy: -1.467 local terms energy: -403.912462 where: bonds (distance) C4'-P energy: -79.283 bonds (distance) P-C4' energy: -61.512 flat angles C4'-P-C4' energy: -82.744 flat angles P-C4'-P energy: -58.867 tors. eta vs tors. theta energy: -121.506 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: 6 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -1339.534586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.534586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.534586 (E_RNA) where: Base-Base interactions energy: -930.002 where: short stacking energy: -382.772 Base-Backbone interact. energy: -1.777 local terms energy: -407.755628 where: bonds (distance) C4'-P energy: -70.153 bonds (distance) P-C4' energy: -93.860 flat angles C4'-P-C4' energy: -93.638 flat angles P-C4'-P energy: -40.996 tors. eta vs tors. theta energy: -109.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1252.780653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.780653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.780653 (E_RNA) where: Base-Base interactions energy: -858.255 where: short stacking energy: -364.678 Base-Backbone interact. energy: -3.109 local terms energy: -391.417050 where: bonds (distance) C4'-P energy: -76.480 bonds (distance) P-C4' energy: -77.855 flat angles C4'-P-C4' energy: -86.267 flat angles P-C4'-P energy: -49.191 tors. eta vs tors. theta energy: -101.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1170.637049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.637049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.637049 (E_RNA) where: Base-Base interactions energy: -812.264 where: short stacking energy: -354.244 Base-Backbone interact. energy: -2.886 local terms energy: -355.487187 where: bonds (distance) C4'-P energy: -59.058 bonds (distance) P-C4' energy: -80.002 flat angles C4'-P-C4' energy: -79.897 flat angles P-C4'-P energy: -46.716 tors. eta vs tors. theta energy: -89.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1056.589802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.589802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.589802 (E_RNA) where: Base-Base interactions energy: -703.754 where: short stacking energy: -300.720 Base-Backbone interact. energy: -1.733 local terms energy: -351.102876 where: bonds (distance) C4'-P energy: -77.533 bonds (distance) P-C4' energy: -67.427 flat angles C4'-P-C4' energy: -83.141 flat angles P-C4'-P energy: -38.991 tors. eta vs tors. theta energy: -84.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -788.803537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.803537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.803537 (E_RNA) where: Base-Base interactions energy: -492.134 where: short stacking energy: -222.489 Base-Backbone interact. energy: -1.416 local terms energy: -295.254230 where: bonds (distance) C4'-P energy: -70.481 bonds (distance) P-C4' energy: -74.120 flat angles C4'-P-C4' energy: -71.365 flat angles P-C4'-P energy: -36.283 tors. eta vs tors. theta energy: -43.005 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: 4 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -445.697119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.697119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.697119 (E_RNA) where: Base-Base interactions energy: -221.093 where: short stacking energy: -153.390 Base-Backbone interact. energy: -0.965 local terms energy: -223.639045 where: bonds (distance) C4'-P energy: -61.146 bonds (distance) P-C4' energy: -63.784 flat angles C4'-P-C4' energy: -62.507 flat angles P-C4'-P energy: -36.802 tors. eta vs tors. theta energy: 0.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1565.773268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.773268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.773268 (E_RNA) where: Base-Base interactions energy: -1113.901 where: short stacking energy: -440.793 Base-Backbone interact. energy: -1.672 local terms energy: -450.201044 where: bonds (distance) C4'-P energy: -81.373 bonds (distance) P-C4' energy: -91.978 flat angles C4'-P-C4' energy: -90.746 flat angles P-C4'-P energy: -64.612 tors. eta vs tors. theta energy: -121.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1512.592644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.592644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.592644 (E_RNA) where: Base-Base interactions energy: -1046.816 where: short stacking energy: -444.806 Base-Backbone interact. energy: -0.196 local terms energy: -465.581320 where: bonds (distance) C4'-P energy: -85.690 bonds (distance) P-C4' energy: -78.545 flat angles C4'-P-C4' energy: -99.637 flat angles P-C4'-P energy: -70.439 tors. eta vs tors. theta energy: -131.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1487.654995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.654995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.654995 (E_RNA) where: Base-Base interactions energy: -1050.664 where: short stacking energy: -441.546 Base-Backbone interact. energy: -1.101 local terms energy: -435.890038 where: bonds (distance) C4'-P energy: -70.469 bonds (distance) P-C4' energy: -84.940 flat angles C4'-P-C4' energy: -98.196 flat angles P-C4'-P energy: -61.211 tors. eta vs tors. theta energy: -121.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1405.487879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.487879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.487879 (E_RNA) where: Base-Base interactions energy: -981.649 where: short stacking energy: -435.089 Base-Backbone interact. energy: -1.201 local terms energy: -422.638375 where: bonds (distance) C4'-P energy: -72.215 bonds (distance) P-C4' energy: -73.985 flat angles C4'-P-C4' energy: -99.628 flat angles P-C4'-P energy: -54.433 tors. eta vs tors. theta energy: -122.377 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: 5, replica: 6 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -1334.497491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.497491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.497491 (E_RNA) where: Base-Base interactions energy: -949.336 where: short stacking energy: -409.461 Base-Backbone interact. energy: -2.385 local terms energy: -382.776366 where: bonds (distance) C4'-P energy: -72.543 bonds (distance) P-C4' energy: -69.931 flat angles C4'-P-C4' energy: -85.174 flat angles P-C4'-P energy: -52.246 tors. eta vs tors. theta energy: -102.883 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: 1 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1240.836686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.836686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.836686 (E_RNA) where: Base-Base interactions energy: -894.939 where: short stacking energy: -375.874 Base-Backbone interact. energy: -0.755 local terms energy: -345.143434 where: bonds (distance) C4'-P energy: -44.381 bonds (distance) P-C4' energy: -81.780 flat angles C4'-P-C4' energy: -83.196 flat angles P-C4'-P energy: -51.899 tors. eta vs tors. theta energy: -83.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1221.655397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.655397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.655397 (E_RNA) where: Base-Base interactions energy: -849.843 where: short stacking energy: -374.846 Base-Backbone interact. energy: -1.198 local terms energy: -370.614880 where: bonds (distance) C4'-P energy: -65.044 bonds (distance) P-C4' energy: -74.997 flat angles C4'-P-C4' energy: -92.271 flat angles P-C4'-P energy: -39.321 tors. eta vs tors. theta energy: -98.982 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: 370 Temperature: 1.250000 Total energy: -1036.345395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.345395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.345395 (E_RNA) where: Base-Base interactions energy: -683.512 where: short stacking energy: -283.604 Base-Backbone interact. energy: -0.630 local terms energy: -352.203615 where: bonds (distance) C4'-P energy: -80.405 bonds (distance) P-C4' energy: -68.338 flat angles C4'-P-C4' energy: -77.514 flat angles P-C4'-P energy: -52.154 tors. eta vs tors. theta energy: -73.793 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: 5 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -853.933083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.933083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.933083 (E_RNA) where: Base-Base interactions energy: -559.749 where: short stacking energy: -252.289 Base-Backbone interact. energy: 0.759 local terms energy: -294.943335 where: bonds (distance) C4'-P energy: -76.552 bonds (distance) P-C4' energy: -62.991 flat angles C4'-P-C4' energy: -70.030 flat angles P-C4'-P energy: -45.214 tors. eta vs tors. theta energy: -40.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -427.987491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.987491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.987491 (E_RNA) where: Base-Base interactions energy: -201.154 where: short stacking energy: -122.490 Base-Backbone interact. energy: 5.657 local terms energy: -232.490185 where: bonds (distance) C4'-P energy: -69.981 bonds (distance) P-C4' energy: -77.440 flat angles C4'-P-C4' energy: -49.539 flat angles P-C4'-P energy: -36.159 tors. eta vs tors. theta energy: 0.629 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: 3 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1572.265487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.265487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.265487 (E_RNA) where: Base-Base interactions energy: -1118.816 where: short stacking energy: -449.269 Base-Backbone interact. energy: -3.607 local terms energy: -449.842221 where: bonds (distance) C4'-P energy: -80.372 bonds (distance) P-C4' energy: -94.364 flat angles C4'-P-C4' energy: -89.837 flat angles P-C4'-P energy: -68.157 tors. eta vs tors. theta energy: -117.112 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: 2, replica: 8 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1513.922678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.922678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.922678 (E_RNA) where: Base-Base interactions energy: -1058.909 where: short stacking energy: -443.414 Base-Backbone interact. energy: -1.162 local terms energy: -453.851674 where: bonds (distance) C4'-P energy: -75.720 bonds (distance) P-C4' energy: -82.988 flat angles C4'-P-C4' energy: -95.522 flat angles P-C4'-P energy: -73.205 tors. eta vs tors. theta energy: -126.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1454.957654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.957654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.957654 (E_RNA) where: Base-Base interactions energy: -1015.770 where: short stacking energy: -439.384 Base-Backbone interact. energy: -1.218 local terms energy: -437.969636 where: bonds (distance) C4'-P energy: -76.631 bonds (distance) P-C4' energy: -86.979 flat angles C4'-P-C4' energy: -97.966 flat angles P-C4'-P energy: -60.427 tors. eta vs tors. theta energy: -115.967 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: 371 Temperature: 1.050000 Total energy: -1432.451217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.451217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.451217 (E_RNA) where: Base-Base interactions energy: -995.531 where: short stacking energy: -419.611 Base-Backbone interact. energy: 1.572 local terms energy: -438.492242 where: bonds (distance) C4'-P energy: -94.905 bonds (distance) P-C4' energy: -75.863 flat angles C4'-P-C4' energy: -85.339 flat angles P-C4'-P energy: -66.360 tors. eta vs tors. theta energy: -116.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -1335.954311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.954311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.954311 (E_RNA) where: Base-Base interactions energy: -935.776 where: short stacking energy: -396.406 Base-Backbone interact. energy: -0.589 local terms energy: -399.588849 where: bonds (distance) C4'-P energy: -79.160 bonds (distance) P-C4' energy: -70.986 flat angles C4'-P-C4' energy: -82.307 flat angles P-C4'-P energy: -61.177 tors. eta vs tors. theta energy: -105.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1245.141509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.141509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.141509 (E_RNA) where: Base-Base interactions energy: -862.549 where: short stacking energy: -374.881 Base-Backbone interact. energy: -3.133 local terms energy: -379.459139 where: bonds (distance) C4'-P energy: -71.929 bonds (distance) P-C4' energy: -71.280 flat angles C4'-P-C4' energy: -80.900 flat angles P-C4'-P energy: -58.704 tors. eta vs tors. theta energy: -96.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1214.217186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.217186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.217186 (E_RNA) where: Base-Base interactions energy: -852.666 where: short stacking energy: -337.476 Base-Backbone interact. energy: 1.388 local terms energy: -362.939326 where: bonds (distance) C4'-P energy: -82.412 bonds (distance) P-C4' energy: -72.853 flat angles C4'-P-C4' energy: -61.895 flat angles P-C4'-P energy: -56.190 tors. eta vs tors. theta energy: -89.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1052.760895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.760895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.760895 (E_RNA) where: Base-Base interactions energy: -706.564 where: short stacking energy: -315.461 Base-Backbone interact. energy: -1.642 local terms energy: -344.555232 where: bonds (distance) C4'-P energy: -72.230 bonds (distance) P-C4' energy: -65.316 flat angles C4'-P-C4' energy: -67.659 flat angles P-C4'-P energy: -54.513 tors. eta vs tors. theta energy: -84.838 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: 5 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -858.670775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.670775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.670775 (E_RNA) where: Base-Base interactions energy: -564.399 where: short stacking energy: -270.878 Base-Backbone interact. energy: -1.852 local terms energy: -292.419513 where: bonds (distance) C4'-P energy: -61.914 bonds (distance) P-C4' energy: -60.216 flat angles C4'-P-C4' energy: -70.699 flat angles P-C4'-P energy: -45.012 tors. eta vs tors. theta energy: -54.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -438.240371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.240371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.240371 (E_RNA) where: Base-Base interactions energy: -207.745 where: short stacking energy: -142.661 Base-Backbone interact. energy: 2.111 local terms energy: -232.605998 where: bonds (distance) C4'-P energy: -76.205 bonds (distance) P-C4' energy: -75.183 flat angles C4'-P-C4' energy: -55.778 flat angles P-C4'-P energy: -27.282 tors. eta vs tors. theta energy: 1.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1559.519799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.519799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.519799 (E_RNA) where: Base-Base interactions energy: -1122.589 where: short stacking energy: -453.282 Base-Backbone interact. energy: -2.978 local terms energy: -433.952083 where: bonds (distance) C4'-P energy: -82.670 bonds (distance) P-C4' energy: -72.296 flat angles C4'-P-C4' energy: -93.201 flat angles P-C4'-P energy: -65.111 tors. eta vs tors. theta energy: -120.674 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: 8 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1506.062851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.062851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.062851 (E_RNA) where: Base-Base interactions energy: -1050.080 where: short stacking energy: -448.648 Base-Backbone interact. energy: -1.569 local terms energy: -454.413430 where: bonds (distance) C4'-P energy: -86.367 bonds (distance) P-C4' energy: -83.341 flat angles C4'-P-C4' energy: -99.058 flat angles P-C4'-P energy: -62.306 tors. eta vs tors. theta energy: -123.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1440.225469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.225469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.225469 (E_RNA) where: Base-Base interactions energy: -1005.720 where: short stacking energy: -453.910 Base-Backbone interact. energy: -2.809 local terms energy: -431.697348 where: bonds (distance) C4'-P energy: -70.972 bonds (distance) P-C4' energy: -89.795 flat angles C4'-P-C4' energy: -95.246 flat angles P-C4'-P energy: -58.232 tors. eta vs tors. theta energy: -117.452 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: 4, replica: 9 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1411.504472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.504472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.504472 (E_RNA) where: Base-Base interactions energy: -986.839 where: short stacking energy: -424.285 Base-Backbone interact. energy: -1.260 local terms energy: -423.405464 where: bonds (distance) C4'-P energy: -78.614 bonds (distance) P-C4' energy: -84.004 flat angles C4'-P-C4' energy: -86.738 flat angles P-C4'-P energy: -56.929 tors. eta vs tors. theta energy: -117.122 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: 6 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -1338.850218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.850218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.850218 (E_RNA) where: Base-Base interactions energy: -930.092 where: short stacking energy: -389.782 Base-Backbone interact. energy: -1.209 local terms energy: -407.549697 where: bonds (distance) C4'-P energy: -80.319 bonds (distance) P-C4' energy: -68.058 flat angles C4'-P-C4' energy: -93.637 flat angles P-C4'-P energy: -66.661 tors. eta vs tors. theta energy: -98.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1259.819688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.819688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.819688 (E_RNA) where: Base-Base interactions energy: -873.098 where: short stacking energy: -381.569 Base-Backbone interact. energy: -1.138 local terms energy: -385.583611 where: bonds (distance) C4'-P energy: -74.518 bonds (distance) P-C4' energy: -72.227 flat angles C4'-P-C4' energy: -78.775 flat angles P-C4'-P energy: -48.530 tors. eta vs tors. theta energy: -111.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1179.223722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.223722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.223722 (E_RNA) where: Base-Base interactions energy: -821.503 where: short stacking energy: -354.444 Base-Backbone interact. energy: -1.089 local terms energy: -356.631013 where: bonds (distance) C4'-P energy: -73.141 bonds (distance) P-C4' energy: -75.711 flat angles C4'-P-C4' energy: -75.033 flat angles P-C4'-P energy: -54.460 tors. eta vs tors. theta energy: -78.285 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: 10 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1127.883928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.883928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.883928 (E_RNA) where: Base-Base interactions energy: -763.418 where: short stacking energy: -358.026 Base-Backbone interact. energy: -1.875 local terms energy: -362.591256 where: bonds (distance) C4'-P energy: -61.766 bonds (distance) P-C4' energy: -67.333 flat angles C4'-P-C4' energy: -85.629 flat angles P-C4'-P energy: -54.643 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: 9, replica: 5 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -879.128678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.128678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.128678 (E_RNA) where: Base-Base interactions energy: -588.532 where: short stacking energy: -271.188 Base-Backbone interact. energy: -2.266 local terms energy: -288.330629 where: bonds (distance) C4'-P energy: -56.737 bonds (distance) P-C4' energy: -71.583 flat angles C4'-P-C4' energy: -66.141 flat angles P-C4'-P energy: -38.931 tors. eta vs tors. theta energy: -54.938 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: 4 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -446.613680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.613680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.613680 (E_RNA) where: Base-Base interactions energy: -224.544 where: short stacking energy: -152.110 Base-Backbone interact. energy: -1.244 local terms energy: -220.825852 where: bonds (distance) C4'-P energy: -66.307 bonds (distance) P-C4' energy: -64.560 flat angles C4'-P-C4' energy: -66.316 flat angles P-C4'-P energy: -29.508 tors. eta vs tors. theta energy: 5.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1561.952647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.952647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.952647 (E_RNA) where: Base-Base interactions energy: -1119.511 where: short stacking energy: -467.637 Base-Backbone interact. energy: -0.347 local terms energy: -442.095044 where: bonds (distance) C4'-P energy: -74.351 bonds (distance) P-C4' energy: -78.138 flat angles C4'-P-C4' energy: -95.214 flat angles P-C4'-P energy: -67.993 tors. eta vs tors. theta energy: -126.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1507.335407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.335407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.335407 (E_RNA) where: Base-Base interactions energy: -1033.972 where: short stacking energy: -441.007 Base-Backbone interact. energy: 1.415 local terms energy: -474.778185 where: bonds (distance) C4'-P energy: -89.681 bonds (distance) P-C4' energy: -85.612 flat angles C4'-P-C4' energy: -97.143 flat angles P-C4'-P energy: -75.448 tors. eta vs tors. theta energy: -126.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1450.709090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.709090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.709090 (E_RNA) where: Base-Base interactions energy: -1020.833 where: short stacking energy: -452.252 Base-Backbone interact. energy: -0.133 local terms energy: -429.742492 where: bonds (distance) C4'-P energy: -74.635 bonds (distance) P-C4' energy: -75.779 flat angles C4'-P-C4' energy: -90.310 flat angles P-C4'-P energy: -57.032 tors. eta vs tors. theta energy: -131.987 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: 6 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -1390.505868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.505868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.505868 (E_RNA) where: Base-Base interactions energy: -970.895 where: short stacking energy: -433.024 Base-Backbone interact. energy: -1.357 local terms energy: -418.253533 where: bonds (distance) C4'-P energy: -74.276 bonds (distance) P-C4' energy: -81.583 flat angles C4'-P-C4' energy: -87.750 flat angles P-C4'-P energy: -60.606 tors. eta vs tors. theta energy: -114.039 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: 9 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -1376.222044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.222044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.222044 (E_RNA) where: Base-Base interactions energy: -983.884 where: short stacking energy: -426.936 Base-Backbone interact. energy: -1.375 local terms energy: -390.962525 where: bonds (distance) C4'-P energy: -69.195 bonds (distance) P-C4' energy: -59.541 flat angles C4'-P-C4' energy: -93.257 flat angles P-C4'-P energy: -54.553 tors. eta vs tors. theta energy: -114.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1210.705390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.705390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.705390 (E_RNA) where: Base-Base interactions energy: -840.142 where: short stacking energy: -361.258 Base-Backbone interact. energy: -1.449 local terms energy: -369.114467 where: bonds (distance) C4'-P energy: -77.218 bonds (distance) P-C4' energy: -65.870 flat angles C4'-P-C4' energy: -81.234 flat angles P-C4'-P energy: -55.131 tors. eta vs tors. theta energy: -89.661 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: 1 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1177.057509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.057509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.057509 (E_RNA) where: Base-Base interactions energy: -810.467 where: short stacking energy: -348.193 Base-Backbone interact. energy: -4.138 local terms energy: -362.452314 where: bonds (distance) C4'-P energy: -74.671 bonds (distance) P-C4' energy: -69.755 flat angles C4'-P-C4' energy: -89.576 flat angles P-C4'-P energy: -44.027 tors. eta vs tors. theta energy: -84.424 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: 8, replica: 10 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1139.488203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.488203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.488203 (E_RNA) where: Base-Base interactions energy: -776.137 where: short stacking energy: -340.864 Base-Backbone interact. energy: -1.183 local terms energy: -362.168303 where: bonds (distance) C4'-P energy: -63.700 bonds (distance) P-C4' energy: -76.198 flat angles C4'-P-C4' energy: -67.128 flat angles P-C4'-P energy: -65.627 tors. eta vs tors. theta energy: -89.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -830.448256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.448256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.448256 (E_RNA) where: Base-Base interactions energy: -537.208 where: short stacking energy: -239.188 Base-Backbone interact. energy: -0.989 local terms energy: -292.250955 where: bonds (distance) C4'-P energy: -77.220 bonds (distance) P-C4' energy: -69.467 flat angles C4'-P-C4' energy: -59.555 flat angles P-C4'-P energy: -34.085 tors. eta vs tors. theta energy: -51.924 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: 10, replica: 4 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -440.227679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.227679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.227679 (E_RNA) where: Base-Base interactions energy: -190.521 where: short stacking energy: -121.943 Base-Backbone interact. energy: -0.040 local terms energy: -249.666754 where: bonds (distance) C4'-P energy: -71.014 bonds (distance) P-C4' energy: -62.086 flat angles C4'-P-C4' energy: -82.036 flat angles P-C4'-P energy: -34.550 tors. eta vs tors. theta energy: 0.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1607.820947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.820947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.820947 (E_RNA) where: Base-Base interactions energy: -1135.989 where: short stacking energy: -467.071 Base-Backbone interact. energy: 0.583 local terms energy: -472.415521 where: bonds (distance) C4'-P energy: -89.036 bonds (distance) P-C4' energy: -89.444 flat angles C4'-P-C4' energy: -98.094 flat angles P-C4'-P energy: -64.667 tors. eta vs tors. theta energy: -131.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1503.624835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.624835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.624835 (E_RNA) where: Base-Base interactions energy: -1050.217 where: short stacking energy: -456.935 Base-Backbone interact. energy: -2.326 local terms energy: -451.081381 where: bonds (distance) C4'-P energy: -78.468 bonds (distance) P-C4' energy: -85.709 flat angles C4'-P-C4' energy: -95.230 flat angles P-C4'-P energy: -63.025 tors. eta vs tors. theta energy: -128.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1446.578556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.578556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.578556 (E_RNA) where: Base-Base interactions energy: -1006.402 where: short stacking energy: -431.743 Base-Backbone interact. energy: 1.310 local terms energy: -441.486839 where: bonds (distance) C4'-P energy: -81.748 bonds (distance) P-C4' energy: -79.434 flat angles C4'-P-C4' energy: -96.669 flat angles P-C4'-P energy: -62.177 tors. eta vs tors. theta energy: -121.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -1383.558888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.558888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.558888 (E_RNA) where: Base-Base interactions energy: -954.835 where: short stacking energy: -407.281 Base-Backbone interact. energy: -0.219 local terms energy: -428.504825 where: bonds (distance) C4'-P energy: -83.728 bonds (distance) P-C4' energy: -77.922 flat angles C4'-P-C4' energy: -97.735 flat angles P-C4'-P energy: -59.827 tors. eta vs tors. theta energy: -109.293 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: 9 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -1389.960433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.960433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.960433 (E_RNA) where: Base-Base interactions energy: -974.327 where: short stacking energy: -427.776 Base-Backbone interact. energy: -1.931 local terms energy: -413.702270 where: bonds (distance) C4'-P energy: -76.819 bonds (distance) P-C4' energy: -77.664 flat angles C4'-P-C4' energy: -79.560 flat angles P-C4'-P energy: -57.647 tors. eta vs tors. theta energy: -122.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1219.693100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.693100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.693100 (E_RNA) where: Base-Base interactions energy: -837.342 where: short stacking energy: -334.451 Base-Backbone interact. energy: -0.761 local terms energy: -381.589894 where: bonds (distance) C4'-P energy: -79.911 bonds (distance) P-C4' energy: -79.727 flat angles C4'-P-C4' energy: -77.775 flat angles P-C4'-P energy: -60.593 tors. eta vs tors. theta energy: -83.584 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: 1 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1188.062120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.062120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.062120 (E_RNA) where: Base-Base interactions energy: -806.070 where: short stacking energy: -345.649 Base-Backbone interact. energy: 0.734 local terms energy: -382.725961 where: bonds (distance) C4'-P energy: -74.228 bonds (distance) P-C4' energy: -82.419 flat angles C4'-P-C4' energy: -88.459 flat angles P-C4'-P energy: -52.402 tors. eta vs tors. theta energy: -85.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1092.712267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.712267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.712267 (E_RNA) where: Base-Base interactions energy: -754.872 where: short stacking energy: -333.802 Base-Backbone interact. energy: -1.586 local terms energy: -336.254205 where: bonds (distance) C4'-P energy: -67.645 bonds (distance) P-C4' energy: -55.530 flat angles C4'-P-C4' energy: -85.376 flat angles P-C4'-P energy: -40.633 tors. eta vs tors. theta energy: -87.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -730.945537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.945537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.945537 (E_RNA) where: Base-Base interactions energy: -454.541 where: short stacking energy: -222.642 Base-Backbone interact. energy: -0.458 local terms energy: -275.945962 where: bonds (distance) C4'-P energy: -74.924 bonds (distance) P-C4' energy: -87.043 flat angles C4'-P-C4' energy: -45.132 flat angles P-C4'-P energy: -34.857 tors. eta vs tors. theta energy: -33.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -450.020776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.020776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.020776 (E_RNA) where: Base-Base interactions energy: -243.112 where: short stacking energy: -143.216 Base-Backbone interact. energy: 1.549 local terms energy: -208.457895 where: bonds (distance) C4'-P energy: -64.384 bonds (distance) P-C4' energy: -69.286 flat angles C4'-P-C4' energy: -56.409 flat angles P-C4'-P energy: -28.318 tors. eta vs tors. theta energy: 9.939 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: 3 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1572.786800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.786800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.786800 (E_RNA) where: Base-Base interactions energy: -1110.000 where: short stacking energy: -446.104 Base-Backbone interact. energy: 1.294 local terms energy: -464.080511 where: bonds (distance) C4'-P energy: -87.161 bonds (distance) P-C4' energy: -89.816 flat angles C4'-P-C4' energy: -103.153 flat angles P-C4'-P energy: -60.776 tors. eta vs tors. theta energy: -123.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1516.200507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.200507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.200507 (E_RNA) where: Base-Base interactions energy: -1074.677 where: short stacking energy: -441.291 Base-Backbone interact. energy: -0.622 local terms energy: -440.901323 where: bonds (distance) C4'-P energy: -84.848 bonds (distance) P-C4' energy: -76.269 flat angles C4'-P-C4' energy: -96.171 flat angles P-C4'-P energy: -62.640 tors. eta vs tors. theta energy: -120.973 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: 2 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1458.021696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.021696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.021696 (E_RNA) where: Base-Base interactions energy: -1005.427 where: short stacking energy: -446.788 Base-Backbone interact. energy: -0.214 local terms energy: -452.380874 where: bonds (distance) C4'-P energy: -87.476 bonds (distance) P-C4' energy: -83.963 flat angles C4'-P-C4' energy: -97.290 flat angles P-C4'-P energy: -55.890 tors. eta vs tors. theta energy: -127.761 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: 6 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1375.832684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.832684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.832684 (E_RNA) where: Base-Base interactions energy: -963.795 where: short stacking energy: -413.531 Base-Backbone interact. energy: -1.183 local terms energy: -410.854254 where: bonds (distance) C4'-P energy: -76.896 bonds (distance) P-C4' energy: -80.584 flat angles C4'-P-C4' energy: -90.117 flat angles P-C4'-P energy: -51.971 tors. eta vs tors. theta energy: -111.287 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: 9 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -1322.724582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.724582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.724582 (E_RNA) where: Base-Base interactions energy: -918.522 where: short stacking energy: -405.503 Base-Backbone interact. energy: -0.926 local terms energy: -403.277185 where: bonds (distance) C4'-P energy: -87.771 bonds (distance) P-C4' energy: -75.530 flat angles C4'-P-C4' energy: -87.618 flat angles P-C4'-P energy: -54.595 tors. eta vs tors. theta energy: -97.764 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: 1 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1254.202419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.202419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.202419 (E_RNA) where: Base-Base interactions energy: -886.204 where: short stacking energy: -354.011 Base-Backbone interact. energy: 0.348 local terms energy: -368.346601 where: bonds (distance) C4'-P energy: -82.561 bonds (distance) P-C4' energy: -74.499 flat angles C4'-P-C4' energy: -77.978 flat angles P-C4'-P energy: -50.847 tors. eta vs tors. theta energy: -82.461 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: 7 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1207.790693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.790693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.790693 (E_RNA) where: Base-Base interactions energy: -834.281 where: short stacking energy: -341.797 Base-Backbone interact. energy: 1.021 local terms energy: -374.530803 where: bonds (distance) C4'-P energy: -74.177 bonds (distance) P-C4' energy: -80.577 flat angles C4'-P-C4' energy: -82.414 flat angles P-C4'-P energy: -46.136 tors. eta vs tors. theta energy: -91.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1105.396550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.396550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.396550 (E_RNA) where: Base-Base interactions energy: -759.380 where: short stacking energy: -313.279 Base-Backbone interact. energy: -0.552 local terms energy: -345.464279 where: bonds (distance) C4'-P energy: -58.518 bonds (distance) P-C4' energy: -73.735 flat angles C4'-P-C4' energy: -78.781 flat angles P-C4'-P energy: -49.621 tors. eta vs tors. theta energy: -84.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -729.437822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.437822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.437822 (E_RNA) where: Base-Base interactions energy: -456.962 where: short stacking energy: -220.972 Base-Backbone interact. energy: 0.016 local terms energy: -272.491822 where: bonds (distance) C4'-P energy: -71.129 bonds (distance) P-C4' energy: -61.965 flat angles C4'-P-C4' energy: -59.067 flat angles P-C4'-P energy: -41.054 tors. eta vs tors. theta energy: -39.277 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: 10, replica: 4 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -449.471328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.471328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.471328 (E_RNA) where: Base-Base interactions energy: -206.792 where: short stacking energy: -122.813 Base-Backbone interact. energy: -0.243 local terms energy: -242.436159 where: bonds (distance) C4'-P energy: -66.943 bonds (distance) P-C4' energy: -74.966 flat angles C4'-P-C4' energy: -59.339 flat angles P-C4'-P energy: -36.321 tors. eta vs tors. theta energy: -4.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1583.322550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.322550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.322550 (E_RNA) where: Base-Base interactions energy: -1128.251 where: short stacking energy: -458.619 Base-Backbone interact. energy: -0.022 local terms energy: -455.049163 where: bonds (distance) C4'-P energy: -80.433 bonds (distance) P-C4' energy: -92.408 flat angles C4'-P-C4' energy: -94.414 flat angles P-C4'-P energy: -65.883 tors. eta vs tors. theta energy: -121.912 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: 376 Temperature: 0.950000 Total energy: -1480.465129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.465129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.465129 (E_RNA) where: Base-Base interactions energy: -1039.296 where: short stacking energy: -437.410 Base-Backbone interact. energy: 2.122 local terms energy: -443.290433 where: bonds (distance) C4'-P energy: -85.139 bonds (distance) P-C4' energy: -86.488 flat angles C4'-P-C4' energy: -90.798 flat angles P-C4'-P energy: -61.785 tors. eta vs tors. theta energy: -119.080 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: 3, replica: 2 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1445.327002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.327002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.327002 (E_RNA) where: Base-Base interactions energy: -1011.430 where: short stacking energy: -449.290 Base-Backbone interact. energy: -1.235 local terms energy: -432.661893 where: bonds (distance) C4'-P energy: -75.460 bonds (distance) P-C4' energy: -76.989 flat angles C4'-P-C4' energy: -93.219 flat angles P-C4'-P energy: -65.560 tors. eta vs tors. theta energy: -121.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1353.109150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.109150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.109150 (E_RNA) where: Base-Base interactions energy: -948.071 where: short stacking energy: -414.348 Base-Backbone interact. energy: 0.202 local terms energy: -405.240012 where: bonds (distance) C4'-P energy: -71.932 bonds (distance) P-C4' energy: -69.117 flat angles C4'-P-C4' energy: -90.024 flat angles P-C4'-P energy: -60.336 tors. eta vs tors. theta energy: -113.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -1277.354411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.354411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.354411 (E_RNA) where: Base-Base interactions energy: -889.569 where: short stacking energy: -370.185 Base-Backbone interact. energy: -0.358 local terms energy: -387.427413 where: bonds (distance) C4'-P energy: -77.691 bonds (distance) P-C4' energy: -77.963 flat angles C4'-P-C4' energy: -86.472 flat angles P-C4'-P energy: -55.396 tors. eta vs tors. theta energy: -89.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1347.965559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.965559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.965559 (E_RNA) where: Base-Base interactions energy: -943.755 where: short stacking energy: -421.742 Base-Backbone interact. energy: -2.759 local terms energy: -401.452287 where: bonds (distance) C4'-P energy: -72.014 bonds (distance) P-C4' energy: -81.577 flat angles C4'-P-C4' energy: -88.692 flat angles P-C4'-P energy: -48.194 tors. eta vs tors. theta energy: -110.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1222.718417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.718417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.718417 (E_RNA) where: Base-Base interactions energy: -852.072 where: short stacking energy: -375.185 Base-Backbone interact. energy: -2.276 local terms energy: -368.370113 where: bonds (distance) C4'-P energy: -62.927 bonds (distance) P-C4' energy: -74.393 flat angles C4'-P-C4' energy: -78.996 flat angles P-C4'-P energy: -44.395 tors. eta vs tors. theta energy: -107.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1126.999706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.999706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.999706 (E_RNA) where: Base-Base interactions energy: -742.509 where: short stacking energy: -323.245 Base-Backbone interact. energy: -0.178 local terms energy: -384.312264 where: bonds (distance) C4'-P energy: -77.331 bonds (distance) P-C4' energy: -76.812 flat angles C4'-P-C4' energy: -87.685 flat angles P-C4'-P energy: -59.633 tors. eta vs tors. theta energy: -82.851 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: 5 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -714.895153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.895153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.895153 (E_RNA) where: Base-Base interactions energy: -440.782 where: short stacking energy: -213.855 Base-Backbone interact. energy: 1.201 local terms energy: -275.314605 where: bonds (distance) C4'-P energy: -66.225 bonds (distance) P-C4' energy: -67.174 flat angles C4'-P-C4' energy: -71.692 flat angles P-C4'-P energy: -42.695 tors. eta vs tors. theta energy: -27.529 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: 4 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -461.957439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.957439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.957439 (E_RNA) where: Base-Base interactions energy: -232.862 where: short stacking energy: -154.386 Base-Backbone interact. energy: 6.329 local terms energy: -235.424813 where: bonds (distance) C4'-P energy: -56.061 bonds (distance) P-C4' energy: -72.853 flat angles C4'-P-C4' energy: -57.460 flat angles P-C4'-P energy: -30.523 tors. eta vs tors. theta energy: -18.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1570.052360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.052360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.052360 (E_RNA) where: Base-Base interactions energy: -1119.014 where: short stacking energy: -452.529 Base-Backbone interact. energy: 0.496 local terms energy: -451.534695 where: bonds (distance) C4'-P energy: -86.738 bonds (distance) P-C4' energy: -88.313 flat angles C4'-P-C4' energy: -94.140 flat angles P-C4'-P energy: -65.145 tors. eta vs tors. theta energy: -117.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1492.434509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.434509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.434509 (E_RNA) where: Base-Base interactions energy: -1050.254 where: short stacking energy: -460.141 Base-Backbone interact. energy: -1.205 local terms energy: -440.975185 where: bonds (distance) C4'-P energy: -77.247 bonds (distance) P-C4' energy: -82.688 flat angles C4'-P-C4' energy: -94.535 flat angles P-C4'-P energy: -63.292 tors. eta vs tors. theta energy: -123.214 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: 2 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1449.037421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.037421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.037421 (E_RNA) where: Base-Base interactions energy: -1015.580 where: short stacking energy: -444.928 Base-Backbone interact. energy: -1.588 local terms energy: -431.869268 where: bonds (distance) C4'-P energy: -76.758 bonds (distance) P-C4' energy: -84.677 flat angles C4'-P-C4' energy: -88.278 flat angles P-C4'-P energy: -59.391 tors. eta vs tors. theta energy: -122.765 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: 6 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1341.555086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.555086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.555086 (E_RNA) where: Base-Base interactions energy: -932.478 where: short stacking energy: -408.704 Base-Backbone interact. energy: -2.502 local terms energy: -406.575312 where: bonds (distance) C4'-P energy: -76.655 bonds (distance) P-C4' energy: -77.480 flat angles C4'-P-C4' energy: -88.930 flat angles P-C4'-P energy: -53.535 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: 5, replica: 1 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -1303.632793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.632793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.632793 (E_RNA) where: Base-Base interactions energy: -928.304 where: short stacking energy: -383.772 Base-Backbone interact. energy: -1.238 local terms energy: -374.091261 where: bonds (distance) C4'-P energy: -64.836 bonds (distance) P-C4' energy: -79.021 flat angles C4'-P-C4' energy: -87.104 flat angles P-C4'-P energy: -51.276 tors. eta vs tors. theta energy: -91.854 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: 9 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1304.217239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.217239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.217239 (E_RNA) where: Base-Base interactions energy: -903.457 where: short stacking energy: -383.141 Base-Backbone interact. energy: -0.832 local terms energy: -399.927844 where: bonds (distance) C4'-P energy: -83.864 bonds (distance) P-C4' energy: -61.059 flat angles C4'-P-C4' energy: -85.319 flat angles P-C4'-P energy: -58.128 tors. eta vs tors. theta energy: -111.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1169.522560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.522560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.522560 (E_RNA) where: Base-Base interactions energy: -800.087 where: short stacking energy: -334.499 Base-Backbone interact. energy: 1.731 local terms energy: -371.166661 where: bonds (distance) C4'-P energy: -64.231 bonds (distance) P-C4' energy: -72.328 flat angles C4'-P-C4' energy: -81.432 flat angles P-C4'-P energy: -60.756 tors. eta vs tors. theta energy: -92.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1154.873311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.873311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.873311 (E_RNA) where: Base-Base interactions energy: -775.347 where: short stacking energy: -360.769 Base-Backbone interact. energy: -2.755 local terms energy: -376.771981 where: bonds (distance) C4'-P energy: -75.568 bonds (distance) P-C4' energy: -65.206 flat angles C4'-P-C4' energy: -87.091 flat angles P-C4'-P energy: -56.369 tors. eta vs tors. theta energy: -92.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -707.684641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.684641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.684641 (E_RNA) where: Base-Base interactions energy: -427.974 where: short stacking energy: -218.673 Base-Backbone interact. energy: -0.505 local terms energy: -279.205187 where: bonds (distance) C4'-P energy: -55.815 bonds (distance) P-C4' energy: -77.098 flat angles C4'-P-C4' energy: -67.474 flat angles P-C4'-P energy: -52.122 tors. eta vs tors. theta energy: -26.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -448.812210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.812210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.812210 (E_RNA) where: Base-Base interactions energy: -236.527 where: short stacking energy: -143.004 Base-Backbone interact. energy: -0.542 local terms energy: -211.742811 where: bonds (distance) C4'-P energy: -56.704 bonds (distance) P-C4' energy: -84.689 flat angles C4'-P-C4' energy: -44.266 flat angles P-C4'-P energy: -19.634 tors. eta vs tors. theta energy: -6.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1601.696220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.696220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.696220 (E_RNA) where: Base-Base interactions energy: -1146.078 where: short stacking energy: -454.658 Base-Backbone interact. energy: 1.101 local terms energy: -456.719313 where: bonds (distance) C4'-P energy: -82.666 bonds (distance) P-C4' energy: -87.941 flat angles C4'-P-C4' energy: -96.027 flat angles P-C4'-P energy: -62.287 tors. eta vs tors. theta energy: -127.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1488.277202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.277202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.277202 (E_RNA) where: Base-Base interactions energy: -1037.923 where: short stacking energy: -466.440 Base-Backbone interact. energy: -0.937 local terms energy: -449.417119 where: bonds (distance) C4'-P energy: -84.178 bonds (distance) P-C4' energy: -84.749 flat angles C4'-P-C4' energy: -101.970 flat angles P-C4'-P energy: -57.432 tors. eta vs tors. theta energy: -121.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1454.842460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.842460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.842460 (E_RNA) where: Base-Base interactions energy: -1046.321 where: short stacking energy: -455.544 Base-Backbone interact. energy: -1.724 local terms energy: -406.797518 where: bonds (distance) C4'-P energy: -76.175 bonds (distance) P-C4' energy: -70.043 flat angles C4'-P-C4' energy: -91.833 flat angles P-C4'-P energy: -42.266 tors. eta vs tors. theta energy: -126.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1358.967107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.967107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.967107 (E_RNA) where: Base-Base interactions energy: -941.845 where: short stacking energy: -404.393 Base-Backbone interact. energy: 0.285 local terms energy: -417.407683 where: bonds (distance) C4'-P energy: -76.118 bonds (distance) P-C4' energy: -72.682 flat angles C4'-P-C4' energy: -91.166 flat angles P-C4'-P energy: -65.929 tors. eta vs tors. theta energy: -111.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1335.070748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.070748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.070748 (E_RNA) where: Base-Base interactions energy: -919.911 where: short stacking energy: -384.093 Base-Backbone interact. energy: -3.381 local terms energy: -411.778328 where: bonds (distance) C4'-P energy: -72.024 bonds (distance) P-C4' energy: -76.820 flat angles C4'-P-C4' energy: -91.087 flat angles P-C4'-P energy: -64.834 tors. eta vs tors. theta energy: -107.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1264.124480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.124480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.124480 (E_RNA) where: Base-Base interactions energy: -871.132 where: short stacking energy: -365.401 Base-Backbone interact. energy: -1.476 local terms energy: -391.515868 where: bonds (distance) C4'-P energy: -88.341 bonds (distance) P-C4' energy: -82.614 flat angles C4'-P-C4' energy: -73.949 flat angles P-C4'-P energy: -53.904 tors. eta vs tors. theta energy: -92.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1208.220629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.220629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.220629 (E_RNA) where: Base-Base interactions energy: -845.224 where: short stacking energy: -375.270 Base-Backbone interact. energy: -0.138 local terms energy: -362.858638 where: bonds (distance) C4'-P energy: -56.758 bonds (distance) P-C4' energy: -67.629 flat angles C4'-P-C4' energy: -80.949 flat angles P-C4'-P energy: -54.752 tors. eta vs tors. theta energy: -102.772 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: 7 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1138.504153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.504153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.504153 (E_RNA) where: Base-Base interactions energy: -796.523 where: short stacking energy: -332.026 Base-Backbone interact. energy: 0.808 local terms energy: -342.788555 where: bonds (distance) C4'-P energy: -71.710 bonds (distance) P-C4' energy: -76.134 flat angles C4'-P-C4' energy: -64.223 flat angles P-C4'-P energy: -42.849 tors. eta vs tors. theta energy: -87.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -706.826676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.826676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.826676 (E_RNA) where: Base-Base interactions energy: -439.736 where: short stacking energy: -219.166 Base-Backbone interact. energy: -1.177 local terms energy: -265.913824 where: bonds (distance) C4'-P energy: -46.163 bonds (distance) P-C4' energy: -81.608 flat angles C4'-P-C4' energy: -59.828 flat angles P-C4'-P energy: -42.959 tors. eta vs tors. theta energy: -35.356 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: 10, replica: 4 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -424.446028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.446028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.446028 (E_RNA) where: Base-Base interactions energy: -198.498 where: short stacking energy: -121.829 Base-Backbone interact. energy: 3.981 local terms energy: -229.928783 where: bonds (distance) C4'-P energy: -61.623 bonds (distance) P-C4' energy: -82.448 flat angles C4'-P-C4' energy: -52.897 flat angles P-C4'-P energy: -37.808 tors. eta vs tors. theta energy: 4.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1575.906358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.906358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.906358 (E_RNA) where: Base-Base interactions energy: -1125.952 where: short stacking energy: -453.181 Base-Backbone interact. energy: -0.315 local terms energy: -449.638537 where: bonds (distance) C4'-P energy: -84.884 bonds (distance) P-C4' energy: -91.044 flat angles C4'-P-C4' energy: -86.767 flat angles P-C4'-P energy: -65.998 tors. eta vs tors. theta energy: -120.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1492.818621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.818621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.818621 (E_RNA) where: Base-Base interactions energy: -1055.352 where: short stacking energy: -444.919 Base-Backbone interact. energy: -2.572 local terms energy: -434.894677 where: bonds (distance) C4'-P energy: -67.799 bonds (distance) P-C4' energy: -85.356 flat angles C4'-P-C4' energy: -93.092 flat angles P-C4'-P energy: -61.872 tors. eta vs tors. theta energy: -126.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1463.873609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.873609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.873609 (E_RNA) where: Base-Base interactions energy: -1018.642 where: short stacking energy: -418.938 Base-Backbone interact. energy: -0.797 local terms energy: -444.434988 where: bonds (distance) C4'-P energy: -78.687 bonds (distance) P-C4' energy: -84.096 flat angles C4'-P-C4' energy: -90.368 flat angles P-C4'-P energy: -65.755 tors. eta vs tors. theta energy: -125.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1397.152099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.152099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.152099 (E_RNA) where: Base-Base interactions energy: -954.589 where: short stacking energy: -427.852 Base-Backbone interact. energy: -4.341 local terms energy: -438.222478 where: bonds (distance) C4'-P energy: -80.753 bonds (distance) P-C4' energy: -87.985 flat angles C4'-P-C4' energy: -95.288 flat angles P-C4'-P energy: -54.196 tors. eta vs tors. theta energy: -120.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -1333.661779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.661779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.661779 (E_RNA) where: Base-Base interactions energy: -926.086 where: short stacking energy: -395.744 Base-Backbone interact. energy: 0.338 local terms energy: -407.912985 where: bonds (distance) C4'-P energy: -71.224 bonds (distance) P-C4' energy: -85.499 flat angles C4'-P-C4' energy: -84.771 flat angles P-C4'-P energy: -60.321 tors. eta vs tors. theta energy: -106.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1236.837240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.837240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.837240 (E_RNA) where: Base-Base interactions energy: -864.395 where: short stacking energy: -380.986 Base-Backbone interact. energy: -0.598 local terms energy: -371.844230 where: bonds (distance) C4'-P energy: -62.716 bonds (distance) P-C4' energy: -62.523 flat angles C4'-P-C4' energy: -85.229 flat angles P-C4'-P energy: -57.313 tors. eta vs tors. theta energy: -104.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1189.845353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.845353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.845353 (E_RNA) where: Base-Base interactions energy: -828.685 where: short stacking energy: -360.018 Base-Backbone interact. energy: 0.061 local terms energy: -361.221001 where: bonds (distance) C4'-P energy: -62.874 bonds (distance) P-C4' energy: -59.788 flat angles C4'-P-C4' energy: -89.725 flat angles P-C4'-P energy: -54.673 tors. eta vs tors. theta energy: -94.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1104.351664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.351664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.351664 (E_RNA) where: Base-Base interactions energy: -788.436 where: short stacking energy: -349.425 Base-Backbone interact. energy: 2.377 local terms energy: -318.292153 where: bonds (distance) C4'-P energy: -51.234 bonds (distance) P-C4' energy: -64.707 flat angles C4'-P-C4' energy: -73.298 flat angles P-C4'-P energy: -44.886 tors. eta vs tors. theta energy: -84.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -767.083875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.083875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.083875 (E_RNA) where: Base-Base interactions energy: -472.927 where: short stacking energy: -246.864 Base-Backbone interact. energy: -2.258 local terms energy: -291.898942 where: bonds (distance) C4'-P energy: -65.901 bonds (distance) P-C4' energy: -74.238 flat angles C4'-P-C4' energy: -79.435 flat angles P-C4'-P energy: -25.520 tors. eta vs tors. theta energy: -46.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -471.159797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.159797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.159797 (E_RNA) where: Base-Base interactions energy: -230.616 where: short stacking energy: -147.822 Base-Backbone interact. energy: -0.100 local terms energy: -240.444143 where: bonds (distance) C4'-P energy: -82.051 bonds (distance) P-C4' energy: -71.704 flat angles C4'-P-C4' energy: -54.823 flat angles P-C4'-P energy: -36.505 tors. eta vs tors. theta energy: 4.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1571.894443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.894443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.894443 (E_RNA) where: Base-Base interactions energy: -1121.841 where: short stacking energy: -445.074 Base-Backbone interact. energy: -0.609 local terms energy: -449.444569 where: bonds (distance) C4'-P energy: -87.668 bonds (distance) P-C4' energy: -83.203 flat angles C4'-P-C4' energy: -96.885 flat angles P-C4'-P energy: -67.257 tors. eta vs tors. theta energy: -114.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1523.246715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.246715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.246715 (E_RNA) where: Base-Base interactions energy: -1072.680 where: short stacking energy: -465.988 Base-Backbone interact. energy: -1.636 local terms energy: -448.931008 where: bonds (distance) C4'-P energy: -81.186 bonds (distance) P-C4' energy: -82.785 flat angles C4'-P-C4' energy: -100.563 flat angles P-C4'-P energy: -60.792 tors. eta vs tors. theta energy: -123.604 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: 2 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1457.575804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.575804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.575804 (E_RNA) where: Base-Base interactions energy: -1009.636 where: short stacking energy: -439.035 Base-Backbone interact. energy: -1.736 local terms energy: -446.203918 where: bonds (distance) C4'-P energy: -83.414 bonds (distance) P-C4' energy: -81.950 flat angles C4'-P-C4' energy: -91.779 flat angles P-C4'-P energy: -65.204 tors. eta vs tors. theta energy: -123.858 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: 6 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1365.545726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.545726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.545726 (E_RNA) where: Base-Base interactions energy: -956.127 where: short stacking energy: -403.622 Base-Backbone interact. energy: -0.253 local terms energy: -409.165323 where: bonds (distance) C4'-P energy: -77.561 bonds (distance) P-C4' energy: -85.206 flat angles C4'-P-C4' energy: -85.244 flat angles P-C4'-P energy: -51.597 tors. eta vs tors. theta energy: -109.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -1307.267208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.267208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.267208 (E_RNA) where: Base-Base interactions energy: -895.327 where: short stacking energy: -396.045 Base-Backbone interact. energy: 3.139 local terms energy: -415.079629 where: bonds (distance) C4'-P energy: -78.876 bonds (distance) P-C4' energy: -86.058 flat angles C4'-P-C4' energy: -79.112 flat angles P-C4'-P energy: -56.117 tors. eta vs tors. theta energy: -114.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1283.462018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.462018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.462018 (E_RNA) where: Base-Base interactions energy: -886.053 where: short stacking energy: -388.550 Base-Backbone interact. energy: -0.663 local terms energy: -396.746259 where: bonds (distance) C4'-P energy: -78.412 bonds (distance) P-C4' energy: -68.335 flat angles C4'-P-C4' energy: -85.017 flat angles P-C4'-P energy: -61.939 tors. eta vs tors. theta energy: -103.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1226.750479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.750479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.750479 (E_RNA) where: Base-Base interactions energy: -876.548 where: short stacking energy: -362.210 Base-Backbone interact. energy: 1.171 local terms energy: -351.373483 where: bonds (distance) C4'-P energy: -62.032 bonds (distance) P-C4' energy: -74.913 flat angles C4'-P-C4' energy: -74.934 flat angles P-C4'-P energy: -51.638 tors. eta vs tors. theta energy: -87.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1052.356446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.356446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.356446 (E_RNA) where: Base-Base interactions energy: -670.435 where: short stacking energy: -298.921 Base-Backbone interact. energy: -1.212 local terms energy: -380.709225 where: bonds (distance) C4'-P energy: -79.168 bonds (distance) P-C4' energy: -80.460 flat angles C4'-P-C4' energy: -79.952 flat angles P-C4'-P energy: -52.815 tors. eta vs tors. theta energy: -88.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -776.247023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.247023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.247023 (E_RNA) where: Base-Base interactions energy: -503.241 where: short stacking energy: -242.071 Base-Backbone interact. energy: 1.451 local terms energy: -274.456905 where: bonds (distance) C4'-P energy: -61.534 bonds (distance) P-C4' energy: -55.740 flat angles C4'-P-C4' energy: -66.668 flat angles P-C4'-P energy: -44.740 tors. eta vs tors. theta energy: -45.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -456.708012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.708012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.708012 (E_RNA) where: Base-Base interactions energy: -213.155 where: short stacking energy: -127.158 Base-Backbone interact. energy: -0.048 local terms energy: -243.505543 where: bonds (distance) C4'-P energy: -77.101 bonds (distance) P-C4' energy: -68.121 flat angles C4'-P-C4' energy: -61.867 flat angles P-C4'-P energy: -39.905 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: 3 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1588.011189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.011189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.011189 (E_RNA) where: Base-Base interactions energy: -1126.383 where: short stacking energy: -444.659 Base-Backbone interact. energy: -1.737 local terms energy: -459.891466 where: bonds (distance) C4'-P energy: -81.118 bonds (distance) P-C4' energy: -91.571 flat angles C4'-P-C4' energy: -101.503 flat angles P-C4'-P energy: -62.299 tors. eta vs tors. theta energy: -123.400 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: 381 Temperature: 0.950000 Total energy: -1521.228110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.228110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.228110 (E_RNA) where: Base-Base interactions energy: -1062.161 where: short stacking energy: -450.732 Base-Backbone interact. energy: 0.320 local terms energy: -459.387571 where: bonds (distance) C4'-P energy: -80.494 bonds (distance) P-C4' energy: -79.662 flat angles C4'-P-C4' energy: -94.054 flat angles P-C4'-P energy: -74.318 tors. eta vs tors. theta energy: -130.860 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: 2 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1467.556998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.556998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.556998 (E_RNA) where: Base-Base interactions energy: -1017.249 where: short stacking energy: -433.032 Base-Backbone interact. energy: -1.142 local terms energy: -449.165294 where: bonds (distance) C4'-P energy: -82.254 bonds (distance) P-C4' energy: -84.825 flat angles C4'-P-C4' energy: -92.558 flat angles P-C4'-P energy: -60.588 tors. eta vs tors. theta energy: -128.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1361.963236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.963236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.963236 (E_RNA) where: Base-Base interactions energy: -940.168 where: short stacking energy: -396.849 Base-Backbone interact. energy: -2.430 local terms energy: -419.364815 where: bonds (distance) C4'-P energy: -79.036 bonds (distance) P-C4' energy: -87.664 flat angles C4'-P-C4' energy: -85.229 flat angles P-C4'-P energy: -61.647 tors. eta vs tors. theta energy: -105.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -1322.688929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.688929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.688929 (E_RNA) where: Base-Base interactions energy: -912.365 where: short stacking energy: -389.459 Base-Backbone interact. energy: 0.485 local terms energy: -410.809202 where: bonds (distance) C4'-P energy: -65.697 bonds (distance) P-C4' energy: -74.676 flat angles C4'-P-C4' energy: -100.318 flat angles P-C4'-P energy: -68.104 tors. eta vs tors. theta energy: -102.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1279.757896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.757896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.757896 (E_RNA) where: Base-Base interactions energy: -892.476 where: short stacking energy: -384.424 Base-Backbone interact. energy: -0.211 local terms energy: -387.070705 where: bonds (distance) C4'-P energy: -72.447 bonds (distance) P-C4' energy: -77.292 flat angles C4'-P-C4' energy: -82.763 flat angles P-C4'-P energy: -50.019 tors. eta vs tors. theta energy: -104.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1186.324696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.324696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.324696 (E_RNA) where: Base-Base interactions energy: -826.931 where: short stacking energy: -332.138 Base-Backbone interact. energy: -0.249 local terms energy: -359.144766 where: bonds (distance) C4'-P energy: -69.870 bonds (distance) P-C4' energy: -67.072 flat angles C4'-P-C4' energy: -88.333 flat angles P-C4'-P energy: -48.966 tors. eta vs tors. theta energy: -84.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1011.720912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.720912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.720912 (E_RNA) where: Base-Base interactions energy: -663.910 where: short stacking energy: -298.471 Base-Backbone interact. energy: -3.175 local terms energy: -344.635514 where: bonds (distance) C4'-P energy: -79.053 bonds (distance) P-C4' energy: -78.547 flat angles C4'-P-C4' energy: -70.839 flat angles P-C4'-P energy: -39.870 tors. eta vs tors. theta energy: -76.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -795.647963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.647963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.647963 (E_RNA) where: Base-Base interactions energy: -496.147 where: short stacking energy: -236.890 Base-Backbone interact. energy: 3.569 local terms energy: -303.069891 where: bonds (distance) C4'-P energy: -78.250 bonds (distance) P-C4' energy: -70.528 flat angles C4'-P-C4' energy: -66.484 flat angles P-C4'-P energy: -46.492 tors. eta vs tors. theta energy: -41.317 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: 4 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -443.607632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.607632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.607632 (E_RNA) where: Base-Base interactions energy: -214.896 where: short stacking energy: -154.582 Base-Backbone interact. energy: -1.235 local terms energy: -227.476773 where: bonds (distance) C4'-P energy: -64.319 bonds (distance) P-C4' energy: -67.892 flat angles C4'-P-C4' energy: -61.225 flat angles P-C4'-P energy: -31.566 tors. eta vs tors. theta energy: -2.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1594.634737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.634737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.634737 (E_RNA) where: Base-Base interactions energy: -1120.839 where: short stacking energy: -446.657 Base-Backbone interact. energy: -2.128 local terms energy: -471.667805 where: bonds (distance) C4'-P energy: -92.442 bonds (distance) P-C4' energy: -87.994 flat angles C4'-P-C4' energy: -98.808 flat angles P-C4'-P energy: -64.548 tors. eta vs tors. theta energy: -127.876 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: 8 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1503.379051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.379051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.379051 (E_RNA) where: Base-Base interactions energy: -1054.417 where: short stacking energy: -437.213 Base-Backbone interact. energy: -0.687 local terms energy: -448.275446 where: bonds (distance) C4'-P energy: -79.190 bonds (distance) P-C4' energy: -84.090 flat angles C4'-P-C4' energy: -90.086 flat angles P-C4'-P energy: -65.624 tors. eta vs tors. theta energy: -129.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1447.943432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.943432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.943432 (E_RNA) where: Base-Base interactions energy: -987.440 where: short stacking energy: -443.255 Base-Backbone interact. energy: 0.305 local terms energy: -460.808840 where: bonds (distance) C4'-P energy: -85.077 bonds (distance) P-C4' energy: -88.472 flat angles C4'-P-C4' energy: -92.943 flat angles P-C4'-P energy: -68.602 tors. eta vs tors. theta energy: -125.714 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: 6 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1349.162730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.162730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.162730 (E_RNA) where: Base-Base interactions energy: -926.542 where: short stacking energy: -398.545 Base-Backbone interact. energy: -1.886 local terms energy: -420.734984 where: bonds (distance) C4'-P energy: -84.823 bonds (distance) P-C4' energy: -83.020 flat angles C4'-P-C4' energy: -87.355 flat angles P-C4'-P energy: -59.373 tors. eta vs tors. theta energy: -106.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -1333.620832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.620832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.620832 (E_RNA) where: Base-Base interactions energy: -906.526 where: short stacking energy: -405.222 Base-Backbone interact. energy: -2.649 local terms energy: -424.445899 where: bonds (distance) C4'-P energy: -63.912 bonds (distance) P-C4' energy: -86.623 flat angles C4'-P-C4' energy: -88.639 flat angles P-C4'-P energy: -68.768 tors. eta vs tors. theta energy: -116.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1292.500033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.500033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.500033 (E_RNA) where: Base-Base interactions energy: -911.843 where: short stacking energy: -376.736 Base-Backbone interact. energy: -0.416 local terms energy: -380.240359 where: bonds (distance) C4'-P energy: -65.853 bonds (distance) P-C4' energy: -85.620 flat angles C4'-P-C4' energy: -77.030 flat angles P-C4'-P energy: -57.083 tors. eta vs tors. theta energy: -94.656 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: 1 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1193.461462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.461462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.461462 (E_RNA) where: Base-Base interactions energy: -830.274 where: short stacking energy: -359.562 Base-Backbone interact. energy: 1.906 local terms energy: -365.093510 where: bonds (distance) C4'-P energy: -66.741 bonds (distance) P-C4' energy: -70.607 flat angles C4'-P-C4' energy: -85.043 flat angles P-C4'-P energy: -47.634 tors. eta vs tors. theta energy: -95.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -970.678556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.678556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.678556 (E_RNA) where: Base-Base interactions energy: -655.325 where: short stacking energy: -277.615 Base-Backbone interact. energy: -0.154 local terms energy: -315.199136 where: bonds (distance) C4'-P energy: -68.251 bonds (distance) P-C4' energy: -73.175 flat angles C4'-P-C4' energy: -62.053 flat angles P-C4'-P energy: -41.034 tors. eta vs tors. theta energy: -70.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -797.015212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.015212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.015212 (E_RNA) where: Base-Base interactions energy: -517.490 where: short stacking energy: -247.112 Base-Backbone interact. energy: -0.803 local terms energy: -278.721761 where: bonds (distance) C4'-P energy: -55.030 bonds (distance) P-C4' energy: -82.627 flat angles C4'-P-C4' energy: -63.098 flat angles P-C4'-P energy: -36.231 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: 10, replica: 4 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -478.682610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.682610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.682610 (E_RNA) where: Base-Base interactions energy: -250.255 where: short stacking energy: -139.590 Base-Backbone interact. energy: 0.141 local terms energy: -228.568481 where: bonds (distance) C4'-P energy: -71.173 bonds (distance) P-C4' energy: -61.404 flat angles C4'-P-C4' energy: -65.636 flat angles P-C4'-P energy: -36.177 tors. eta vs tors. theta energy: 5.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1582.511712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.511712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.511712 (E_RNA) where: Base-Base interactions energy: -1121.943 where: short stacking energy: -468.814 Base-Backbone interact. energy: -2.268 local terms energy: -458.301041 where: bonds (distance) C4'-P energy: -82.831 bonds (distance) P-C4' energy: -83.538 flat angles C4'-P-C4' energy: -101.507 flat angles P-C4'-P energy: -65.719 tors. eta vs tors. theta energy: -124.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1494.827564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.827564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.827564 (E_RNA) where: Base-Base interactions energy: -1061.021 where: short stacking energy: -453.184 Base-Backbone interact. energy: -2.699 local terms energy: -431.107500 where: bonds (distance) C4'-P energy: -76.454 bonds (distance) P-C4' energy: -72.650 flat angles C4'-P-C4' energy: -94.708 flat angles P-C4'-P energy: -64.116 tors. eta vs tors. theta energy: -123.179 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: 2 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1440.783076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.783076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.783076 (E_RNA) where: Base-Base interactions energy: -988.472 where: short stacking energy: -431.217 Base-Backbone interact. energy: 1.988 local terms energy: -454.299979 where: bonds (distance) C4'-P energy: -79.572 bonds (distance) P-C4' energy: -91.903 flat angles C4'-P-C4' energy: -95.017 flat angles P-C4'-P energy: -64.445 tors. eta vs tors. theta energy: -123.363 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: 10 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1393.738393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.738393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.738393 (E_RNA) where: Base-Base interactions energy: -952.040 where: short stacking energy: -421.229 Base-Backbone interact. energy: -3.334 local terms energy: -438.364324 where: bonds (distance) C4'-P energy: -76.991 bonds (distance) P-C4' energy: -80.264 flat angles C4'-P-C4' energy: -93.728 flat angles P-C4'-P energy: -60.433 tors. eta vs tors. theta energy: -126.948 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: 5, replica: 6 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -1335.566796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.566796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.566796 (E_RNA) where: Base-Base interactions energy: -924.409 where: short stacking energy: -385.749 Base-Backbone interact. energy: -2.968 local terms energy: -408.189603 where: bonds (distance) C4'-P energy: -65.114 bonds (distance) P-C4' energy: -86.829 flat angles C4'-P-C4' energy: -83.565 flat angles P-C4'-P energy: -68.410 tors. eta vs tors. theta energy: -104.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1262.535055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.535055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.535055 (E_RNA) where: Base-Base interactions energy: -882.903 where: short stacking energy: -367.693 Base-Backbone interact. energy: -1.815 local terms energy: -377.817366 where: bonds (distance) C4'-P energy: -58.091 bonds (distance) P-C4' energy: -80.359 flat angles C4'-P-C4' energy: -80.280 flat angles P-C4'-P energy: -54.538 tors. eta vs tors. theta energy: -104.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1195.690847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.690847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.690847 (E_RNA) where: Base-Base interactions energy: -836.678 where: short stacking energy: -345.380 Base-Backbone interact. energy: -1.953 local terms energy: -357.059863 where: bonds (distance) C4'-P energy: -66.612 bonds (distance) P-C4' energy: -83.422 flat angles C4'-P-C4' energy: -85.104 flat angles P-C4'-P energy: -51.533 tors. eta vs tors. theta energy: -70.390 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: 383 Temperature: 1.250000 Total energy: -1019.347833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.347833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.347833 (E_RNA) where: Base-Base interactions energy: -693.793 where: short stacking energy: -301.225 Base-Backbone interact. energy: -0.863 local terms energy: -324.692304 where: bonds (distance) C4'-P energy: -72.870 bonds (distance) P-C4' energy: -72.509 flat angles C4'-P-C4' energy: -69.519 flat angles P-C4'-P energy: -41.404 tors. eta vs tors. theta energy: -68.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -807.018897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.018897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.018897 (E_RNA) where: Base-Base interactions energy: -493.229 where: short stacking energy: -223.446 Base-Backbone interact. energy: 2.389 local terms energy: -316.179079 where: bonds (distance) C4'-P energy: -75.687 bonds (distance) P-C4' energy: -79.593 flat angles C4'-P-C4' energy: -76.031 flat angles P-C4'-P energy: -54.264 tors. eta vs tors. theta energy: -30.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -448.873679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.873679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.873679 (E_RNA) where: Base-Base interactions energy: -221.054 where: short stacking energy: -125.833 Base-Backbone interact. energy: -0.585 local terms energy: -227.234475 where: bonds (distance) C4'-P energy: -76.474 bonds (distance) P-C4' energy: -66.425 flat angles C4'-P-C4' energy: -55.216 flat angles P-C4'-P energy: -33.625 tors. eta vs tors. theta energy: 4.506 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: 3 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1586.884366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.884366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.884366 (E_RNA) where: Base-Base interactions energy: -1103.669 where: short stacking energy: -468.064 Base-Backbone interact. energy: -2.242 local terms energy: -480.973357 where: bonds (distance) C4'-P energy: -95.301 bonds (distance) P-C4' energy: -90.570 flat angles C4'-P-C4' energy: -104.081 flat angles P-C4'-P energy: -62.226 tors. eta vs tors. theta energy: -128.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1491.321281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.321281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.321281 (E_RNA) where: Base-Base interactions energy: -1052.161 where: short stacking energy: -438.250 Base-Backbone interact. energy: -0.455 local terms energy: -438.705469 where: bonds (distance) C4'-P energy: -82.817 bonds (distance) P-C4' energy: -76.190 flat angles C4'-P-C4' energy: -101.010 flat angles P-C4'-P energy: -58.170 tors. eta vs tors. theta energy: -120.518 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: 3, replica: 2 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1427.791207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.791207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.791207 (E_RNA) where: Base-Base interactions energy: -1015.697 where: short stacking energy: -441.964 Base-Backbone interact. energy: -2.254 local terms energy: -409.839915 where: bonds (distance) C4'-P energy: -65.027 bonds (distance) P-C4' energy: -84.928 flat angles C4'-P-C4' energy: -81.302 flat angles P-C4'-P energy: -54.734 tors. eta vs tors. theta energy: -123.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1391.895337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.895337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.895337 (E_RNA) where: Base-Base interactions energy: -975.900 where: short stacking energy: -430.772 Base-Backbone interact. energy: -2.886 local terms energy: -413.109355 where: bonds (distance) C4'-P energy: -67.102 bonds (distance) P-C4' energy: -75.548 flat angles C4'-P-C4' energy: -87.413 flat angles P-C4'-P energy: -63.482 tors. eta vs tors. theta energy: -119.565 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: 6 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -1307.472523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.472523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.472523 (E_RNA) where: Base-Base interactions energy: -911.747 where: short stacking energy: -386.498 Base-Backbone interact. energy: 3.459 local terms energy: -399.184652 where: bonds (distance) C4'-P energy: -68.518 bonds (distance) P-C4' energy: -79.107 flat angles C4'-P-C4' energy: -85.670 flat angles P-C4'-P energy: -57.291 tors. eta vs tors. theta energy: -108.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1284.856420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.856420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.856420 (E_RNA) where: Base-Base interactions energy: -908.718 where: short stacking energy: -374.523 Base-Backbone interact. energy: -0.693 local terms energy: -375.445343 where: bonds (distance) C4'-P energy: -81.226 bonds (distance) P-C4' energy: -68.827 flat angles C4'-P-C4' energy: -83.423 flat angles P-C4'-P energy: -48.516 tors. eta vs tors. theta energy: -93.452 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: 7, replica: 1 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1212.181555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.181555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.181555 (E_RNA) where: Base-Base interactions energy: -857.566 where: short stacking energy: -352.219 Base-Backbone interact. energy: 1.338 local terms energy: -355.954334 where: bonds (distance) C4'-P energy: -86.993 bonds (distance) P-C4' energy: -70.789 flat angles C4'-P-C4' energy: -63.985 flat angles P-C4'-P energy: -51.220 tors. eta vs tors. theta energy: -82.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -936.595838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.595838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.595838 (E_RNA) where: Base-Base interactions energy: -637.523 where: short stacking energy: -282.933 Base-Backbone interact. energy: 0.060 local terms energy: -299.133063 where: bonds (distance) C4'-P energy: -45.049 bonds (distance) P-C4' energy: -79.691 flat angles C4'-P-C4' energy: -67.892 flat angles P-C4'-P energy: -50.836 tors. eta vs tors. theta energy: -55.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -763.688220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.688220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.688220 (E_RNA) where: Base-Base interactions energy: -464.984 where: short stacking energy: -220.256 Base-Backbone interact. energy: 1.484 local terms energy: -300.188213 where: bonds (distance) C4'-P energy: -63.369 bonds (distance) P-C4' energy: -66.002 flat angles C4'-P-C4' energy: -83.320 flat angles P-C4'-P energy: -47.826 tors. eta vs tors. theta energy: -39.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -441.834202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.834202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.834202 (E_RNA) where: Base-Base interactions energy: -219.043 where: short stacking energy: -147.043 Base-Backbone interact. energy: -2.418 local terms energy: -220.373054 where: bonds (distance) C4'-P energy: -73.446 bonds (distance) P-C4' energy: -60.407 flat angles C4'-P-C4' energy: -60.469 flat angles P-C4'-P energy: -24.232 tors. eta vs tors. theta energy: -1.819 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: 1, replica: 3 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1594.478572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.478572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.478572 (E_RNA) where: Base-Base interactions energy: -1134.658 where: short stacking energy: -464.006 Base-Backbone interact. energy: -2.238 local terms energy: -457.583348 where: bonds (distance) C4'-P energy: -87.214 bonds (distance) P-C4' energy: -85.047 flat angles C4'-P-C4' energy: -96.741 flat angles P-C4'-P energy: -60.539 tors. eta vs tors. theta energy: -128.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1499.883756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.883756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.883756 (E_RNA) where: Base-Base interactions energy: -1060.729 where: short stacking energy: -434.618 Base-Backbone interact. energy: -1.690 local terms energy: -437.464078 where: bonds (distance) C4'-P energy: -79.987 bonds (distance) P-C4' energy: -83.873 flat angles C4'-P-C4' energy: -91.337 flat angles P-C4'-P energy: -64.680 tors. eta vs tors. theta energy: -117.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1430.587662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.587662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.587662 (E_RNA) where: Base-Base interactions energy: -1007.381 where: short stacking energy: -432.808 Base-Backbone interact. energy: -0.476 local terms energy: -422.730602 where: bonds (distance) C4'-P energy: -79.449 bonds (distance) P-C4' energy: -68.477 flat angles C4'-P-C4' energy: -91.499 flat angles P-C4'-P energy: -58.895 tors. eta vs tors. theta energy: -124.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1379.304965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.304965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.304965 (E_RNA) where: Base-Base interactions energy: -963.858 where: short stacking energy: -419.676 Base-Backbone interact. energy: 1.100 local terms energy: -416.546950 where: bonds (distance) C4'-P energy: -69.035 bonds (distance) P-C4' energy: -79.918 flat angles C4'-P-C4' energy: -81.844 flat angles P-C4'-P energy: -60.006 tors. eta vs tors. theta energy: -125.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -1296.975456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.975456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.975456 (E_RNA) where: Base-Base interactions energy: -912.054 where: short stacking energy: -386.760 Base-Backbone interact. energy: 3.269 local terms energy: -388.190477 where: bonds (distance) C4'-P energy: -73.308 bonds (distance) P-C4' energy: -73.864 flat angles C4'-P-C4' energy: -78.032 flat angles P-C4'-P energy: -62.901 tors. eta vs tors. theta energy: -100.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1299.943920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.943920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.943920 (E_RNA) where: Base-Base interactions energy: -900.379 where: short stacking energy: -380.476 Base-Backbone interact. energy: -0.384 local terms energy: -399.180934 where: bonds (distance) C4'-P energy: -69.294 bonds (distance) P-C4' energy: -75.728 flat angles C4'-P-C4' energy: -91.844 flat angles P-C4'-P energy: -57.646 tors. eta vs tors. theta energy: -104.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1205.777025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.777025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.777025 (E_RNA) where: Base-Base interactions energy: -847.989 where: short stacking energy: -353.197 Base-Backbone interact. energy: 0.854 local terms energy: -358.642856 where: bonds (distance) C4'-P energy: -68.619 bonds (distance) P-C4' energy: -72.112 flat angles C4'-P-C4' energy: -77.262 flat angles P-C4'-P energy: -56.225 tors. eta vs tors. theta energy: -84.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -928.299548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.299548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.299548 (E_RNA) where: Base-Base interactions energy: -602.487 where: short stacking energy: -270.844 Base-Backbone interact. energy: 2.349 local terms energy: -328.161633 where: bonds (distance) C4'-P energy: -76.687 bonds (distance) P-C4' energy: -77.811 flat angles C4'-P-C4' energy: -74.268 flat angles P-C4'-P energy: -48.537 tors. eta vs tors. theta energy: -50.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -779.445413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.445413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.445413 (E_RNA) where: Base-Base interactions energy: -493.708 where: short stacking energy: -226.065 Base-Backbone interact. energy: -0.028 local terms energy: -285.709315 where: bonds (distance) C4'-P energy: -62.424 bonds (distance) P-C4' energy: -69.553 flat angles C4'-P-C4' energy: -70.900 flat angles P-C4'-P energy: -35.180 tors. eta vs tors. theta energy: -47.652 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: 10, replica: 4 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -452.498642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.498642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.498642 (E_RNA) where: Base-Base interactions energy: -231.905 where: short stacking energy: -142.446 Base-Backbone interact. energy: -1.328 local terms energy: -219.265538 where: bonds (distance) C4'-P energy: -68.707 bonds (distance) P-C4' energy: -75.097 flat angles C4'-P-C4' energy: -59.071 flat angles P-C4'-P energy: -17.836 tors. eta vs tors. theta energy: 1.445 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: 3 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1593.458550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.458550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.458550 (E_RNA) where: Base-Base interactions energy: -1111.452 where: short stacking energy: -453.776 Base-Backbone interact. energy: -2.443 local terms energy: -479.563533 where: bonds (distance) C4'-P energy: -82.409 bonds (distance) P-C4' energy: -94.877 flat angles C4'-P-C4' energy: -98.572 flat angles P-C4'-P energy: -71.986 tors. eta vs tors. theta energy: -131.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1530.983115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.983115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.983115 (E_RNA) where: Base-Base interactions energy: -1087.494 where: short stacking energy: -452.230 Base-Backbone interact. energy: -0.301 local terms energy: -443.188134 where: bonds (distance) C4'-P energy: -66.287 bonds (distance) P-C4' energy: -92.858 flat angles C4'-P-C4' energy: -96.097 flat angles P-C4'-P energy: -64.036 tors. eta vs tors. theta energy: -123.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1422.246712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.246712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.246712 (E_RNA) where: Base-Base interactions energy: -971.628 where: short stacking energy: -435.734 Base-Backbone interact. energy: -1.113 local terms energy: -449.506055 where: bonds (distance) C4'-P energy: -86.484 bonds (distance) P-C4' energy: -82.171 flat angles C4'-P-C4' energy: -92.215 flat angles P-C4'-P energy: -63.343 tors. eta vs tors. theta energy: -125.293 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: 2 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1424.181449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.181449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.181449 (E_RNA) where: Base-Base interactions energy: -995.299 where: short stacking energy: -437.806 Base-Backbone interact. energy: -0.951 local terms energy: -427.931514 where: bonds (distance) C4'-P energy: -77.612 bonds (distance) P-C4' energy: -68.593 flat angles C4'-P-C4' energy: -91.818 flat angles P-C4'-P energy: -62.715 tors. eta vs tors. theta energy: -127.193 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: 6 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -1306.166710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.166710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.166710 (E_RNA) where: Base-Base interactions energy: -895.560 where: short stacking energy: -395.832 Base-Backbone interact. energy: 0.018 local terms energy: -410.624652 where: bonds (distance) C4'-P energy: -69.808 bonds (distance) P-C4' energy: -82.843 flat angles C4'-P-C4' energy: -91.991 flat angles P-C4'-P energy: -60.380 tors. eta vs tors. theta energy: -105.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -1252.008320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.008320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.008320 (E_RNA) where: Base-Base interactions energy: -871.436 where: short stacking energy: -376.151 Base-Backbone interact. energy: -0.468 local terms energy: -380.104175 where: bonds (distance) C4'-P energy: -81.668 bonds (distance) P-C4' energy: -53.365 flat angles C4'-P-C4' energy: -92.569 flat angles P-C4'-P energy: -64.197 tors. eta vs tors. theta energy: -88.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1172.179038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.179038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.179038 (E_RNA) where: Base-Base interactions energy: -823.167 where: short stacking energy: -347.830 Base-Backbone interact. energy: -5.498 local terms energy: -343.513716 where: bonds (distance) C4'-P energy: -58.555 bonds (distance) P-C4' energy: -73.344 flat angles C4'-P-C4' energy: -79.725 flat angles P-C4'-P energy: -45.518 tors. eta vs tors. theta energy: -86.373 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: 7 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -895.355968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.355968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.355968 (E_RNA) where: Base-Base interactions energy: -581.538 where: short stacking energy: -259.725 Base-Backbone interact. energy: 3.294 local terms energy: -317.111894 where: bonds (distance) C4'-P energy: -72.885 bonds (distance) P-C4' energy: -71.889 flat angles C4'-P-C4' energy: -76.775 flat angles P-C4'-P energy: -57.152 tors. eta vs tors. theta energy: -38.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -721.996442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.996442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.996442 (E_RNA) where: Base-Base interactions energy: -429.904 where: short stacking energy: -214.752 Base-Backbone interact. energy: -0.962 local terms energy: -291.130924 where: bonds (distance) C4'-P energy: -68.845 bonds (distance) P-C4' energy: -74.375 flat angles C4'-P-C4' energy: -79.641 flat angles P-C4'-P energy: -27.452 tors. eta vs tors. theta energy: -40.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -474.391131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.391131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.391131 (E_RNA) where: Base-Base interactions energy: -227.574 where: short stacking energy: -131.656 Base-Backbone interact. energy: -1.890 local terms energy: -244.927988 where: bonds (distance) C4'-P energy: -68.763 bonds (distance) P-C4' energy: -68.225 flat angles C4'-P-C4' energy: -68.038 flat angles P-C4'-P energy: -37.343 tors. eta vs tors. theta energy: -2.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1611.139053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.139053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.139053 (E_RNA) where: Base-Base interactions energy: -1148.243 where: short stacking energy: -452.104 Base-Backbone interact. energy: -0.884 local terms energy: -462.012574 where: bonds (distance) C4'-P energy: -89.182 bonds (distance) P-C4' energy: -83.338 flat angles C4'-P-C4' energy: -96.657 flat angles P-C4'-P energy: -60.182 tors. eta vs tors. theta energy: -132.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1484.873179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.873179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.873179 (E_RNA) where: Base-Base interactions energy: -1048.689 where: short stacking energy: -455.329 Base-Backbone interact. energy: -3.241 local terms energy: -432.944136 where: bonds (distance) C4'-P energy: -67.698 bonds (distance) P-C4' energy: -72.809 flat angles C4'-P-C4' energy: -91.579 flat angles P-C4'-P energy: -65.270 tors. eta vs tors. theta energy: -135.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1473.611556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.611556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.611556 (E_RNA) where: Base-Base interactions energy: -1049.782 where: short stacking energy: -439.464 Base-Backbone interact. energy: -2.314 local terms energy: -421.516506 where: bonds (distance) C4'-P energy: -73.634 bonds (distance) P-C4' energy: -82.396 flat angles C4'-P-C4' energy: -85.853 flat angles P-C4'-P energy: -64.988 tors. eta vs tors. theta energy: -114.645 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: 2 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -1408.380555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.380555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.380555 (E_RNA) where: Base-Base interactions energy: -975.863 where: short stacking energy: -434.803 Base-Backbone interact. energy: -2.248 local terms energy: -430.269846 where: bonds (distance) C4'-P energy: -85.212 bonds (distance) P-C4' energy: -73.890 flat angles C4'-P-C4' energy: -87.701 flat angles P-C4'-P energy: -59.891 tors. eta vs tors. theta energy: -123.576 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: 6 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -1311.509738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.509738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.509738 (E_RNA) where: Base-Base interactions energy: -937.886 where: short stacking energy: -389.443 Base-Backbone interact. energy: -1.294 local terms energy: -372.329887 where: bonds (distance) C4'-P energy: -73.565 bonds (distance) P-C4' energy: -65.782 flat angles C4'-P-C4' energy: -84.624 flat angles P-C4'-P energy: -53.868 tors. eta vs tors. theta energy: -94.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1291.195710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.195710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.195710 (E_RNA) where: Base-Base interactions energy: -891.922 where: short stacking energy: -406.230 Base-Backbone interact. energy: 1.743 local terms energy: -401.017336 where: bonds (distance) C4'-P energy: -73.416 bonds (distance) P-C4' energy: -76.733 flat angles C4'-P-C4' energy: -87.503 flat angles P-C4'-P energy: -55.676 tors. eta vs tors. theta energy: -107.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1179.860571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.860571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.860571 (E_RNA) where: Base-Base interactions energy: -841.245 where: short stacking energy: -353.577 Base-Backbone interact. energy: -1.113 local terms energy: -337.502725 where: bonds (distance) C4'-P energy: -72.541 bonds (distance) P-C4' energy: -61.132 flat angles C4'-P-C4' energy: -74.617 flat angles P-C4'-P energy: -50.298 tors. eta vs tors. theta energy: -78.915 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: 387 Temperature: 1.250000 Total energy: -922.799582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.799582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.799582 (E_RNA) where: Base-Base interactions energy: -597.070 where: short stacking energy: -256.017 Base-Backbone interact. energy: -0.589 local terms energy: -325.140448 where: bonds (distance) C4'-P energy: -67.406 bonds (distance) P-C4' energy: -68.555 flat angles C4'-P-C4' energy: -75.953 flat angles P-C4'-P energy: -55.849 tors. eta vs tors. theta energy: -57.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -747.574695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.574695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.574695 (E_RNA) where: Base-Base interactions energy: -448.044 where: short stacking energy: -229.824 Base-Backbone interact. energy: -1.083 local terms energy: -298.448460 where: bonds (distance) C4'-P energy: -74.392 bonds (distance) P-C4' energy: -74.171 flat angles C4'-P-C4' energy: -72.238 flat angles P-C4'-P energy: -33.828 tors. eta vs tors. theta energy: -43.819 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: 4 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -511.480799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.480799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.480799 (E_RNA) where: Base-Base interactions energy: -277.514 where: short stacking energy: -162.611 Base-Backbone interact. energy: -1.066 local terms energy: -232.900981 where: bonds (distance) C4'-P energy: -49.988 bonds (distance) P-C4' energy: -64.506 flat angles C4'-P-C4' energy: -59.459 flat angles P-C4'-P energy: -45.097 tors. eta vs tors. theta energy: -13.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1590.093202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.093202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.093202 (E_RNA) where: Base-Base interactions energy: -1122.615 where: short stacking energy: -453.968 Base-Backbone interact. energy: -1.143 local terms energy: -466.335696 where: bonds (distance) C4'-P energy: -79.173 bonds (distance) P-C4' energy: -92.224 flat angles C4'-P-C4' energy: -98.126 flat angles P-C4'-P energy: -68.351 tors. eta vs tors. theta energy: -128.462 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: 10 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1472.100655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.100655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.100655 (E_RNA) where: Base-Base interactions energy: -1015.674 where: short stacking energy: -457.361 Base-Backbone interact. energy: -3.252 local terms energy: -453.175213 where: bonds (distance) C4'-P energy: -80.177 bonds (distance) P-C4' energy: -76.184 flat angles C4'-P-C4' energy: -97.000 flat angles P-C4'-P energy: -68.679 tors. eta vs tors. theta energy: -131.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1467.450556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.450556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.450556 (E_RNA) where: Base-Base interactions energy: -1030.148 where: short stacking energy: -448.294 Base-Backbone interact. energy: 1.403 local terms energy: -438.705628 where: bonds (distance) C4'-P energy: -80.090 bonds (distance) P-C4' energy: -78.919 flat angles C4'-P-C4' energy: -92.165 flat angles P-C4'-P energy: -57.645 tors. eta vs tors. theta energy: -129.886 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: 2 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1436.424363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.424363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.424363 (E_RNA) where: Base-Base interactions energy: -1001.627 where: short stacking energy: -454.464 Base-Backbone interact. energy: -0.605 local terms energy: -434.191833 where: bonds (distance) C4'-P energy: -76.003 bonds (distance) P-C4' energy: -80.525 flat angles C4'-P-C4' energy: -94.836 flat angles P-C4'-P energy: -56.052 tors. eta vs tors. theta energy: -126.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -1314.879615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.879615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.879615 (E_RNA) where: Base-Base interactions energy: -922.809 where: short stacking energy: -410.554 Base-Backbone interact. energy: -0.212 local terms energy: -391.858780 where: bonds (distance) C4'-P energy: -59.249 bonds (distance) P-C4' energy: -85.381 flat angles C4'-P-C4' energy: -77.323 flat angles P-C4'-P energy: -61.926 tors. eta vs tors. theta energy: -107.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1266.094256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.094256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.094256 (E_RNA) where: Base-Base interactions energy: -897.820 where: short stacking energy: -379.754 Base-Backbone interact. energy: 1.542 local terms energy: -369.815547 where: bonds (distance) C4'-P energy: -68.054 bonds (distance) P-C4' energy: -64.631 flat angles C4'-P-C4' energy: -90.545 flat angles P-C4'-P energy: -45.917 tors. eta vs tors. theta energy: -100.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1204.740266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.740266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.740266 (E_RNA) where: Base-Base interactions energy: -830.769 where: short stacking energy: -359.501 Base-Backbone interact. energy: -0.213 local terms energy: -373.758100 where: bonds (distance) C4'-P energy: -70.900 bonds (distance) P-C4' energy: -68.867 flat angles C4'-P-C4' energy: -80.416 flat angles P-C4'-P energy: -64.350 tors. eta vs tors. theta energy: -89.225 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: 7 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -932.536766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.536766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.536766 (E_RNA) where: Base-Base interactions energy: -641.175 where: short stacking energy: -262.665 Base-Backbone interact. energy: 1.678 local terms energy: -293.039555 where: bonds (distance) C4'-P energy: -57.387 bonds (distance) P-C4' energy: -70.514 flat angles C4'-P-C4' energy: -70.176 flat angles P-C4'-P energy: -49.100 tors. eta vs tors. theta energy: -45.862 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: 5 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -750.203560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.203560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.203560 (E_RNA) where: Base-Base interactions energy: -472.815 where: short stacking energy: -249.481 Base-Backbone interact. energy: -1.226 local terms energy: -276.161821 where: bonds (distance) C4'-P energy: -60.796 bonds (distance) P-C4' energy: -67.316 flat angles C4'-P-C4' energy: -70.018 flat angles P-C4'-P energy: -41.277 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: 10, replica: 4 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -467.496243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.496243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.496243 (E_RNA) where: Base-Base interactions energy: -233.296 where: short stacking energy: -156.790 Base-Backbone interact. energy: -0.721 local terms energy: -233.479622 where: bonds (distance) C4'-P energy: -50.310 bonds (distance) P-C4' energy: -88.092 flat angles C4'-P-C4' energy: -64.992 flat angles P-C4'-P energy: -21.893 tors. eta vs tors. theta energy: -8.193 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: 3 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1618.217319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.217319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.217319 (E_RNA) where: Base-Base interactions energy: -1141.079 where: short stacking energy: -457.596 Base-Backbone interact. energy: -2.847 local terms energy: -474.291567 where: bonds (distance) C4'-P energy: -92.597 bonds (distance) P-C4' energy: -98.949 flat angles C4'-P-C4' energy: -89.737 flat angles P-C4'-P energy: -63.186 tors. eta vs tors. theta energy: -129.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1487.278076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.278076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.278076 (E_RNA) where: Base-Base interactions energy: -1037.248 where: short stacking energy: -465.139 Base-Backbone interact. energy: 3.389 local terms energy: -453.418720 where: bonds (distance) C4'-P energy: -75.366 bonds (distance) P-C4' energy: -75.909 flat angles C4'-P-C4' energy: -106.271 flat angles P-C4'-P energy: -67.119 tors. eta vs tors. theta energy: -128.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1487.347801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.347801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.347801 (E_RNA) where: Base-Base interactions energy: -1053.591 where: short stacking energy: -450.353 Base-Backbone interact. energy: -1.620 local terms energy: -432.136462 where: bonds (distance) C4'-P energy: -76.508 bonds (distance) P-C4' energy: -73.577 flat angles C4'-P-C4' energy: -100.215 flat angles P-C4'-P energy: -61.538 tors. eta vs tors. theta energy: -120.298 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: 2 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -1399.343797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.343797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.343797 (E_RNA) where: Base-Base interactions energy: -1004.546 where: short stacking energy: -421.638 Base-Backbone interact. energy: -0.833 local terms energy: -393.964386 where: bonds (distance) C4'-P energy: -63.517 bonds (distance) P-C4' energy: -64.545 flat angles C4'-P-C4' energy: -94.573 flat angles P-C4'-P energy: -56.660 tors. eta vs tors. theta energy: -114.670 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: 9 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1327.611072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.611072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.611072 (E_RNA) where: Base-Base interactions energy: -934.865 where: short stacking energy: -411.643 Base-Backbone interact. energy: -1.518 local terms energy: -391.228156 where: bonds (distance) C4'-P energy: -68.277 bonds (distance) P-C4' energy: -77.089 flat angles C4'-P-C4' energy: -91.489 flat angles P-C4'-P energy: -45.434 tors. eta vs tors. theta energy: -108.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1272.489191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.489191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.489191 (E_RNA) where: Base-Base interactions energy: -891.986 where: short stacking energy: -379.713 Base-Backbone interact. energy: 0.464 local terms energy: -380.967407 where: bonds (distance) C4'-P energy: -67.331 bonds (distance) P-C4' energy: -82.621 flat angles C4'-P-C4' energy: -81.522 flat angles P-C4'-P energy: -41.822 tors. eta vs tors. theta energy: -107.671 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: 7, replica: 6 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1233.166383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.166383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.166383 (E_RNA) where: Base-Base interactions energy: -850.200 where: short stacking energy: -379.605 Base-Backbone interact. energy: -1.730 local terms energy: -381.236475 where: bonds (distance) C4'-P energy: -75.004 bonds (distance) P-C4' energy: -80.876 flat angles C4'-P-C4' energy: -83.512 flat angles P-C4'-P energy: -51.356 tors. eta vs tors. theta energy: -90.488 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: 7 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -977.977902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.977902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.977902 (E_RNA) where: Base-Base interactions energy: -689.645 where: short stacking energy: -299.111 Base-Backbone interact. energy: -0.832 local terms energy: -287.500847 where: bonds (distance) C4'-P energy: -48.653 bonds (distance) P-C4' energy: -68.132 flat angles C4'-P-C4' energy: -65.701 flat angles P-C4'-P energy: -30.719 tors. eta vs tors. theta energy: -74.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -731.514565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.514565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.514565 (E_RNA) where: Base-Base interactions energy: -470.520 where: short stacking energy: -213.217 Base-Backbone interact. energy: 3.941 local terms energy: -264.936322 where: bonds (distance) C4'-P energy: -64.864 bonds (distance) P-C4' energy: -68.653 flat angles C4'-P-C4' energy: -66.964 flat angles P-C4'-P energy: -33.998 tors. eta vs tors. theta energy: -30.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -444.278966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.278966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.278966 (E_RNA) where: Base-Base interactions energy: -223.321 where: short stacking energy: -135.489 Base-Backbone interact. energy: 0.951 local terms energy: -221.908876 where: bonds (distance) C4'-P energy: -68.366 bonds (distance) P-C4' energy: -61.916 flat angles C4'-P-C4' energy: -60.197 flat angles P-C4'-P energy: -25.775 tors. eta vs tors. theta energy: -5.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1585.926534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.926534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.926534 (E_RNA) where: Base-Base interactions energy: -1132.309 where: short stacking energy: -436.027 Base-Backbone interact. energy: -0.801 local terms energy: -452.816309 where: bonds (distance) C4'-P energy: -74.368 bonds (distance) P-C4' energy: -85.884 flat angles C4'-P-C4' energy: -97.619 flat angles P-C4'-P energy: -65.442 tors. eta vs tors. theta energy: -129.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1492.699806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.699806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.699806 (E_RNA) where: Base-Base interactions energy: -1028.129 where: short stacking energy: -477.383 Base-Backbone interact. energy: -0.758 local terms energy: -463.812958 where: bonds (distance) C4'-P energy: -74.760 bonds (distance) P-C4' energy: -83.911 flat angles C4'-P-C4' energy: -99.407 flat angles P-C4'-P energy: -68.813 tors. eta vs tors. theta energy: -136.923 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: 8 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1495.330375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.330375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.330375 (E_RNA) where: Base-Base interactions energy: -1052.574 where: short stacking energy: -469.477 Base-Backbone interact. energy: -0.837 local terms energy: -441.919417 where: bonds (distance) C4'-P energy: -77.475 bonds (distance) P-C4' energy: -85.968 flat angles C4'-P-C4' energy: -92.374 flat angles P-C4'-P energy: -59.995 tors. eta vs tors. theta energy: -126.107 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: 2 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1429.784770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.784770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.784770 (E_RNA) where: Base-Base interactions energy: -1002.478 where: short stacking energy: -434.264 Base-Backbone interact. energy: -1.382 local terms energy: -425.925035 where: bonds (distance) C4'-P energy: -77.489 bonds (distance) P-C4' energy: -78.786 flat angles C4'-P-C4' energy: -92.280 flat angles P-C4'-P energy: -54.819 tors. eta vs tors. theta energy: -122.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1311.023079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.023079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.023079 (E_RNA) where: Base-Base interactions energy: -927.290 where: short stacking energy: -414.798 Base-Backbone interact. energy: -1.112 local terms energy: -382.621361 where: bonds (distance) C4'-P energy: -62.105 bonds (distance) P-C4' energy: -65.208 flat angles C4'-P-C4' energy: -90.495 flat angles P-C4'-P energy: -61.447 tors. eta vs tors. theta energy: -103.365 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: 6, replica: 1 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1228.393494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.393494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.393494 (E_RNA) where: Base-Base interactions energy: -844.106 where: short stacking energy: -360.923 Base-Backbone interact. energy: 0.517 local terms energy: -384.805262 where: bonds (distance) C4'-P energy: -74.582 bonds (distance) P-C4' energy: -68.690 flat angles C4'-P-C4' energy: -94.901 flat angles P-C4'-P energy: -48.207 tors. eta vs tors. theta energy: -98.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1191.168172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.168172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.168172 (E_RNA) where: Base-Base interactions energy: -816.628 where: short stacking energy: -353.351 Base-Backbone interact. energy: 0.254 local terms energy: -374.793522 where: bonds (distance) C4'-P energy: -76.774 bonds (distance) P-C4' energy: -83.664 flat angles C4'-P-C4' energy: -80.703 flat angles P-C4'-P energy: -40.925 tors. eta vs tors. theta energy: -92.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -920.168460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.168460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.168460 (E_RNA) where: Base-Base interactions energy: -610.463 where: short stacking energy: -271.116 Base-Backbone interact. energy: -0.321 local terms energy: -309.385029 where: bonds (distance) C4'-P energy: -72.991 bonds (distance) P-C4' energy: -66.542 flat angles C4'-P-C4' energy: -65.915 flat angles P-C4'-P energy: -48.402 tors. eta vs tors. theta energy: -55.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -773.161532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.161532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.161532 (E_RNA) where: Base-Base interactions energy: -488.885 where: short stacking energy: -227.337 Base-Backbone interact. energy: 3.938 local terms energy: -288.214489 where: bonds (distance) C4'-P energy: -66.124 bonds (distance) P-C4' energy: -74.988 flat angles C4'-P-C4' energy: -65.953 flat angles P-C4'-P energy: -43.994 tors. eta vs tors. theta energy: -37.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -431.868434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.868434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.868434 (E_RNA) where: Base-Base interactions energy: -209.811 where: short stacking energy: -124.355 Base-Backbone interact. energy: -0.075 local terms energy: -221.982303 where: bonds (distance) C4'-P energy: -62.840 bonds (distance) P-C4' energy: -55.910 flat angles C4'-P-C4' energy: -63.083 flat angles P-C4'-P energy: -41.157 tors. eta vs tors. theta energy: 1.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1604.349232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.349232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.349232 (E_RNA) where: Base-Base interactions energy: -1151.476 where: short stacking energy: -458.953 Base-Backbone interact. energy: -1.706 local terms energy: -451.167460 where: bonds (distance) C4'-P energy: -77.678 bonds (distance) P-C4' energy: -84.889 flat angles C4'-P-C4' energy: -95.100 flat angles P-C4'-P energy: -56.570 tors. eta vs tors. theta energy: -136.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1512.539633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.539633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.539633 (E_RNA) where: Base-Base interactions energy: -1055.039 where: short stacking energy: -475.114 Base-Backbone interact. energy: -1.594 local terms energy: -455.906694 where: bonds (distance) C4'-P energy: -84.947 bonds (distance) P-C4' energy: -88.964 flat angles C4'-P-C4' energy: -91.702 flat angles P-C4'-P energy: -59.983 tors. eta vs tors. theta energy: -130.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1445.508892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.508892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.508892 (E_RNA) where: Base-Base interactions energy: -995.410 where: short stacking energy: -462.370 Base-Backbone interact. energy: -0.840 local terms energy: -449.259559 where: bonds (distance) C4'-P energy: -73.032 bonds (distance) P-C4' energy: -82.688 flat angles C4'-P-C4' energy: -97.341 flat angles P-C4'-P energy: -62.919 tors. eta vs tors. theta energy: -133.279 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: 2 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -1445.202904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.202904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.202904 (E_RNA) where: Base-Base interactions energy: -994.080 where: short stacking energy: -443.460 Base-Backbone interact. energy: -0.362 local terms energy: -450.760480 where: bonds (distance) C4'-P energy: -77.842 bonds (distance) P-C4' energy: -76.281 flat angles C4'-P-C4' energy: -93.872 flat angles P-C4'-P energy: -75.721 tors. eta vs tors. theta energy: -127.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1344.105986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.105986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.105986 (E_RNA) where: Base-Base interactions energy: -927.613 where: short stacking energy: -404.305 Base-Backbone interact. energy: -2.976 local terms energy: -413.516905 where: bonds (distance) C4'-P energy: -73.230 bonds (distance) P-C4' energy: -76.008 flat angles C4'-P-C4' energy: -93.744 flat angles P-C4'-P energy: -67.320 tors. eta vs tors. theta energy: -103.215 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: 6, replica: 1 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1204.734657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.734657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.734657 (E_RNA) where: Base-Base interactions energy: -826.090 where: short stacking energy: -349.249 Base-Backbone interact. energy: -1.052 local terms energy: -377.592653 where: bonds (distance) C4'-P energy: -68.665 bonds (distance) P-C4' energy: -69.218 flat angles C4'-P-C4' energy: -86.013 flat angles P-C4'-P energy: -57.312 tors. eta vs tors. theta energy: -96.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1152.613023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.613023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.613023 (E_RNA) where: Base-Base interactions energy: -782.097 where: short stacking energy: -350.742 Base-Backbone interact. energy: 0.273 local terms energy: -370.788985 where: bonds (distance) C4'-P energy: -62.485 bonds (distance) P-C4' energy: -84.489 flat angles C4'-P-C4' energy: -87.623 flat angles P-C4'-P energy: -43.808 tors. eta vs tors. theta energy: -92.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -966.996877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.996877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.996877 (E_RNA) where: Base-Base interactions energy: -640.343 where: short stacking energy: -274.399 Base-Backbone interact. energy: -0.365 local terms energy: -326.288660 where: bonds (distance) C4'-P energy: -55.480 bonds (distance) P-C4' energy: -76.865 flat angles C4'-P-C4' energy: -72.756 flat angles P-C4'-P energy: -53.260 tors. eta vs tors. theta energy: -67.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -834.163674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.163674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.163674 (E_RNA) where: Base-Base interactions energy: -546.279 where: short stacking energy: -254.167 Base-Backbone interact. energy: 2.406 local terms energy: -290.291486 where: bonds (distance) C4'-P energy: -54.571 bonds (distance) P-C4' energy: -70.861 flat angles C4'-P-C4' energy: -67.183 flat angles P-C4'-P energy: -42.033 tors. eta vs tors. theta energy: -55.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -488.459978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.459978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.459978 (E_RNA) where: Base-Base interactions energy: -260.909 where: short stacking energy: -128.277 Base-Backbone interact. energy: 1.306 local terms energy: -228.856760 where: bonds (distance) C4'-P energy: -65.987 bonds (distance) P-C4' energy: -73.587 flat angles C4'-P-C4' energy: -74.436 flat angles P-C4'-P energy: -32.798 tors. eta vs tors. theta energy: 17.951 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: 3 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1587.345319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.345319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.345319 (E_RNA) where: Base-Base interactions energy: -1126.255 where: short stacking energy: -451.932 Base-Backbone interact. energy: -0.604 local terms energy: -460.486753 where: bonds (distance) C4'-P energy: -87.976 bonds (distance) P-C4' energy: -75.931 flat angles C4'-P-C4' energy: -99.337 flat angles P-C4'-P energy: -65.705 tors. eta vs tors. theta energy: -131.537 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: 8 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1510.149678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.149678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.149678 (E_RNA) where: Base-Base interactions energy: -1084.878 where: short stacking energy: -454.154 Base-Backbone interact. energy: -1.891 local terms energy: -423.380509 where: bonds (distance) C4'-P energy: -73.798 bonds (distance) P-C4' energy: -82.383 flat angles C4'-P-C4' energy: -93.136 flat angles P-C4'-P energy: -55.062 tors. eta vs tors. theta energy: -119.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1479.262609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.262609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.262609 (E_RNA) where: Base-Base interactions energy: -1035.279 where: short stacking energy: -462.656 Base-Backbone interact. energy: -0.324 local terms energy: -443.659755 where: bonds (distance) C4'-P energy: -80.622 bonds (distance) P-C4' energy: -83.114 flat angles C4'-P-C4' energy: -99.208 flat angles P-C4'-P energy: -57.731 tors. eta vs tors. theta energy: -122.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1389.478481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.478481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.478481 (E_RNA) where: Base-Base interactions energy: -948.524 where: short stacking energy: -419.684 Base-Backbone interact. energy: -0.408 local terms energy: -440.546769 where: bonds (distance) C4'-P energy: -76.710 bonds (distance) P-C4' energy: -85.588 flat angles C4'-P-C4' energy: -86.391 flat angles P-C4'-P energy: -64.021 tors. eta vs tors. theta energy: -127.836 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: 9 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -1326.759271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.759271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.759271 (E_RNA) where: Base-Base interactions energy: -927.609 where: short stacking energy: -393.287 Base-Backbone interact. energy: -1.485 local terms energy: -397.664371 where: bonds (distance) C4'-P energy: -69.588 bonds (distance) P-C4' energy: -72.715 flat angles C4'-P-C4' energy: -97.779 flat angles P-C4'-P energy: -54.643 tors. eta vs tors. theta energy: -102.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -1220.878225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.878225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.878225 (E_RNA) where: Base-Base interactions energy: -846.741 where: short stacking energy: -356.088 Base-Backbone interact. energy: -0.362 local terms energy: -373.775788 where: bonds (distance) C4'-P energy: -63.674 bonds (distance) P-C4' energy: -73.412 flat angles C4'-P-C4' energy: -83.428 flat angles P-C4'-P energy: -59.640 tors. eta vs tors. theta energy: -93.621 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: 6 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1133.924286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.924286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.924286 (E_RNA) where: Base-Base interactions energy: -778.368 where: short stacking energy: -339.842 Base-Backbone interact. energy: -0.963 local terms energy: -354.592406 where: bonds (distance) C4'-P energy: -65.236 bonds (distance) P-C4' energy: -69.001 flat angles C4'-P-C4' energy: -78.577 flat angles P-C4'-P energy: -50.707 tors. eta vs tors. theta energy: -91.072 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: 7 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -938.557578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.557578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.557578 (E_RNA) where: Base-Base interactions energy: -633.613 where: short stacking energy: -282.454 Base-Backbone interact. energy: 1.797 local terms energy: -306.740814 where: bonds (distance) C4'-P energy: -62.029 bonds (distance) P-C4' energy: -71.346 flat angles C4'-P-C4' energy: -64.120 flat angles P-C4'-P energy: -47.789 tors. eta vs tors. theta energy: -61.457 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: 5 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -801.495450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.495450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.495450 (E_RNA) where: Base-Base interactions energy: -528.778 where: short stacking energy: -244.219 Base-Backbone interact. energy: -0.387 local terms energy: -272.330884 where: bonds (distance) C4'-P energy: -70.967 bonds (distance) P-C4' energy: -61.591 flat angles C4'-P-C4' energy: -67.042 flat angles P-C4'-P energy: -26.685 tors. eta vs tors. theta energy: -46.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -526.463490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.463490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.463490 (E_RNA) where: Base-Base interactions energy: -292.168 where: short stacking energy: -159.711 Base-Backbone interact. energy: -1.206 local terms energy: -233.090255 where: bonds (distance) C4'-P energy: -60.004 bonds (distance) P-C4' energy: -77.181 flat angles C4'-P-C4' energy: -46.462 flat angles P-C4'-P energy: -37.851 tors. eta vs tors. theta energy: -11.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1589.385107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.385107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.385107 (E_RNA) where: Base-Base interactions energy: -1130.176 where: short stacking energy: -458.508 Base-Backbone interact. energy: -1.932 local terms energy: -457.276222 where: bonds (distance) C4'-P energy: -82.500 bonds (distance) P-C4' energy: -81.242 flat angles C4'-P-C4' energy: -98.414 flat angles P-C4'-P energy: -69.078 tors. eta vs tors. theta energy: -126.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1475.643684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.643684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.643684 (E_RNA) where: Base-Base interactions energy: -1015.119 where: short stacking energy: -444.248 Base-Backbone interact. energy: -1.809 local terms energy: -458.715801 where: bonds (distance) C4'-P energy: -85.328 bonds (distance) P-C4' energy: -77.466 flat angles C4'-P-C4' energy: -96.396 flat angles P-C4'-P energy: -72.422 tors. eta vs tors. theta energy: -127.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1471.077404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.077404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.077404 (E_RNA) where: Base-Base interactions energy: -1034.883 where: short stacking energy: -442.219 Base-Backbone interact. energy: -0.566 local terms energy: -435.628884 where: bonds (distance) C4'-P energy: -81.702 bonds (distance) P-C4' energy: -81.296 flat angles C4'-P-C4' energy: -93.474 flat angles P-C4'-P energy: -61.646 tors. eta vs tors. theta energy: -117.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -1412.364586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.364586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.364586 (E_RNA) where: Base-Base interactions energy: -950.914 where: short stacking energy: -410.434 Base-Backbone interact. energy: -1.444 local terms energy: -460.006327 where: bonds (distance) C4'-P energy: -83.470 bonds (distance) P-C4' energy: -83.576 flat angles C4'-P-C4' energy: -102.129 flat angles P-C4'-P energy: -66.493 tors. eta vs tors. theta energy: -124.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -1370.431935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.431935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.431935 (E_RNA) where: Base-Base interactions energy: -968.424 where: short stacking energy: -424.350 Base-Backbone interact. energy: 0.732 local terms energy: -402.739947 where: bonds (distance) C4'-P energy: -70.016 bonds (distance) P-C4' energy: -68.701 flat angles C4'-P-C4' energy: -77.538 flat angles P-C4'-P energy: -65.018 tors. eta vs tors. theta energy: -121.467 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: 6, replica: 6 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1187.489310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.489310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.489310 (E_RNA) where: Base-Base interactions energy: -811.644 where: short stacking energy: -373.639 Base-Backbone interact. energy: -2.326 local terms energy: -373.519138 where: bonds (distance) C4'-P energy: -60.596 bonds (distance) P-C4' energy: -61.444 flat angles C4'-P-C4' energy: -83.205 flat angles P-C4'-P energy: -65.499 tors. eta vs tors. theta energy: -102.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1193.029251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.029251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.029251 (E_RNA) where: Base-Base interactions energy: -835.458 where: short stacking energy: -360.959 Base-Backbone interact. energy: -0.170 local terms energy: -357.401778 where: bonds (distance) C4'-P energy: -61.356 bonds (distance) P-C4' energy: -70.291 flat angles C4'-P-C4' energy: -91.449 flat angles P-C4'-P energy: -43.636 tors. eta vs tors. theta energy: -90.670 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: 7 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -926.129641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.129641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.129641 (E_RNA) where: Base-Base interactions energy: -618.292 where: short stacking energy: -293.454 Base-Backbone interact. energy: -0.650 local terms energy: -307.186777 where: bonds (distance) C4'-P energy: -69.116 bonds (distance) P-C4' energy: -68.756 flat angles C4'-P-C4' energy: -60.287 flat angles P-C4'-P energy: -46.977 tors. eta vs tors. theta energy: -62.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -773.064602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.064602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.064602 (E_RNA) where: Base-Base interactions energy: -482.697 where: short stacking energy: -230.590 Base-Backbone interact. energy: 0.261 local terms energy: -290.628084 where: bonds (distance) C4'-P energy: -65.108 bonds (distance) P-C4' energy: -68.055 flat angles C4'-P-C4' energy: -77.456 flat angles P-C4'-P energy: -38.610 tors. eta vs tors. theta energy: -41.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -481.446210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.446210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.446210 (E_RNA) where: Base-Base interactions energy: -222.334 where: short stacking energy: -132.867 Base-Backbone interact. energy: 0.617 local terms energy: -259.729091 where: bonds (distance) C4'-P energy: -80.123 bonds (distance) P-C4' energy: -64.366 flat angles C4'-P-C4' energy: -63.224 flat angles P-C4'-P energy: -49.064 tors. eta vs tors. theta energy: -2.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1582.490210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.490210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.490210 (E_RNA) where: Base-Base interactions energy: -1135.283 where: short stacking energy: -471.548 Base-Backbone interact. energy: -3.501 local terms energy: -443.706574 where: bonds (distance) C4'-P energy: -78.948 bonds (distance) P-C4' energy: -84.893 flat angles C4'-P-C4' energy: -98.902 flat angles P-C4'-P energy: -56.276 tors. eta vs tors. theta energy: -124.688 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: 2 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1470.421196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.421196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.421196 (E_RNA) where: Base-Base interactions energy: -1019.906 where: short stacking energy: -461.252 Base-Backbone interact. energy: -0.786 local terms energy: -449.729307 where: bonds (distance) C4'-P energy: -87.356 bonds (distance) P-C4' energy: -81.844 flat angles C4'-P-C4' energy: -83.363 flat angles P-C4'-P energy: -67.715 tors. eta vs tors. theta energy: -129.452 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: 3, replica: 10 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1415.917896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.917896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.917896 (E_RNA) where: Base-Base interactions energy: -976.008 where: short stacking energy: -427.488 Base-Backbone interact. energy: -2.256 local terms energy: -437.654156 where: bonds (distance) C4'-P energy: -80.976 bonds (distance) P-C4' energy: -81.528 flat angles C4'-P-C4' energy: -87.644 flat angles P-C4'-P energy: -63.761 tors. eta vs tors. theta energy: -123.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1460.306939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.306939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.306939 (E_RNA) where: Base-Base interactions energy: -1027.361 where: short stacking energy: -432.220 Base-Backbone interact. energy: -0.812 local terms energy: -432.133705 where: bonds (distance) C4'-P energy: -87.226 bonds (distance) P-C4' energy: -90.098 flat angles C4'-P-C4' energy: -90.516 flat angles P-C4'-P energy: -49.969 tors. eta vs tors. theta energy: -114.325 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: 394 Temperature: 1.100000 Total energy: -1333.252714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.252714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.252714 (E_RNA) where: Base-Base interactions energy: -946.295 where: short stacking energy: -420.166 Base-Backbone interact. energy: -0.828 local terms energy: -386.129563 where: bonds (distance) C4'-P energy: -63.064 bonds (distance) P-C4' energy: -75.352 flat angles C4'-P-C4' energy: -91.049 flat angles P-C4'-P energy: -45.010 tors. eta vs tors. theta energy: -111.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1200.702071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.702071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.702071 (E_RNA) where: Base-Base interactions energy: -824.632 where: short stacking energy: -378.182 Base-Backbone interact. energy: -0.965 local terms energy: -375.104979 where: bonds (distance) C4'-P energy: -69.151 bonds (distance) P-C4' energy: -68.746 flat angles C4'-P-C4' energy: -84.546 flat angles P-C4'-P energy: -59.205 tors. eta vs tors. theta energy: -93.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1229.838234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.838234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.838234 (E_RNA) where: Base-Base interactions energy: -859.693 where: short stacking energy: -356.040 Base-Backbone interact. energy: -1.022 local terms energy: -369.123486 where: bonds (distance) C4'-P energy: -61.778 bonds (distance) P-C4' energy: -68.020 flat angles C4'-P-C4' energy: -81.453 flat angles P-C4'-P energy: -53.547 tors. eta vs tors. theta energy: -104.326 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: 7 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -944.466203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.466203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.466203 (E_RNA) where: Base-Base interactions energy: -631.200 where: short stacking energy: -260.263 Base-Backbone interact. energy: -1.553 local terms energy: -311.713948 where: bonds (distance) C4'-P energy: -70.284 bonds (distance) P-C4' energy: -63.040 flat angles C4'-P-C4' energy: -79.309 flat angles P-C4'-P energy: -48.948 tors. eta vs tors. theta energy: -50.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -746.757863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.757863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.757863 (E_RNA) where: Base-Base interactions energy: -442.773 where: short stacking energy: -206.092 Base-Backbone interact. energy: -2.919 local terms energy: -301.066137 where: bonds (distance) C4'-P energy: -76.352 bonds (distance) P-C4' energy: -68.477 flat angles C4'-P-C4' energy: -70.940 flat angles P-C4'-P energy: -57.634 tors. eta vs tors. theta energy: -27.663 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: 4 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -488.027994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.027994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.027994 (E_RNA) where: Base-Base interactions energy: -247.250 where: short stacking energy: -131.360 Base-Backbone interact. energy: 2.700 local terms energy: -243.477794 where: bonds (distance) C4'-P energy: -80.640 bonds (distance) P-C4' energy: -73.314 flat angles C4'-P-C4' energy: -62.164 flat angles P-C4'-P energy: -30.171 tors. eta vs tors. theta energy: 2.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1593.761043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.761043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.761043 (E_RNA) where: Base-Base interactions energy: -1122.085 where: short stacking energy: -455.127 Base-Backbone interact. energy: -2.945 local terms energy: -468.731104 where: bonds (distance) C4'-P energy: -71.980 bonds (distance) P-C4' energy: -96.335 flat angles C4'-P-C4' energy: -94.985 flat angles P-C4'-P energy: -71.224 tors. eta vs tors. theta energy: -134.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1454.946368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.946368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.946368 (E_RNA) where: Base-Base interactions energy: -998.090 where: short stacking energy: -449.486 Base-Backbone interact. energy: -2.006 local terms energy: -454.851019 where: bonds (distance) C4'-P energy: -81.124 bonds (distance) P-C4' energy: -84.046 flat angles C4'-P-C4' energy: -98.797 flat angles P-C4'-P energy: -63.213 tors. eta vs tors. theta energy: -127.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1436.627350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.627350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.627350 (E_RNA) where: Base-Base interactions energy: -980.742 where: short stacking energy: -445.289 Base-Backbone interact. energy: -3.386 local terms energy: -452.499335 where: bonds (distance) C4'-P energy: -79.142 bonds (distance) P-C4' energy: -87.695 flat angles C4'-P-C4' energy: -97.669 flat angles P-C4'-P energy: -55.213 tors. eta vs tors. theta energy: -132.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1471.113207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.113207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.113207 (E_RNA) where: Base-Base interactions energy: -1028.740 where: short stacking energy: -434.565 Base-Backbone interact. energy: 0.955 local terms energy: -443.327682 where: bonds (distance) C4'-P energy: -79.190 bonds (distance) P-C4' energy: -84.343 flat angles C4'-P-C4' energy: -100.510 flat angles P-C4'-P energy: -60.244 tors. eta vs tors. theta energy: -119.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -1328.515990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.515990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.515990 (E_RNA) where: Base-Base interactions energy: -923.531 where: short stacking energy: -389.255 Base-Backbone interact. energy: -2.423 local terms energy: -402.562207 where: bonds (distance) C4'-P energy: -76.261 bonds (distance) P-C4' energy: -81.567 flat angles C4'-P-C4' energy: -90.287 flat angles P-C4'-P energy: -54.487 tors. eta vs tors. theta energy: -99.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1239.228866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.228866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.228866 (E_RNA) where: Base-Base interactions energy: -871.094 where: short stacking energy: -356.110 Base-Backbone interact. energy: -1.828 local terms energy: -366.306802 where: bonds (distance) C4'-P energy: -75.959 bonds (distance) P-C4' energy: -67.778 flat angles C4'-P-C4' energy: -86.689 flat angles P-C4'-P energy: -44.351 tors. eta vs tors. theta energy: -91.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1146.845522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.845522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.845522 (E_RNA) where: Base-Base interactions energy: -799.498 where: short stacking energy: -320.858 Base-Backbone interact. energy: 1.662 local terms energy: -349.009248 where: bonds (distance) C4'-P energy: -71.593 bonds (distance) P-C4' energy: -61.055 flat angles C4'-P-C4' energy: -81.096 flat angles P-C4'-P energy: -48.274 tors. eta vs tors. theta energy: -86.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -975.205733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.205733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.205733 (E_RNA) where: Base-Base interactions energy: -667.160 where: short stacking energy: -272.286 Base-Backbone interact. energy: -1.138 local terms energy: -306.907390 where: bonds (distance) C4'-P energy: -65.321 bonds (distance) P-C4' energy: -60.724 flat angles C4'-P-C4' energy: -70.181 flat angles P-C4'-P energy: -48.572 tors. eta vs tors. theta energy: -62.109 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: 5 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -759.690446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.690446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.690446 (E_RNA) where: Base-Base interactions energy: -479.740 where: short stacking energy: -228.547 Base-Backbone interact. energy: -1.080 local terms energy: -278.871100 where: bonds (distance) C4'-P energy: -64.893 bonds (distance) P-C4' energy: -75.025 flat angles C4'-P-C4' energy: -66.432 flat angles P-C4'-P energy: -39.062 tors. eta vs tors. theta energy: -33.459 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: 4 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -518.956475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.956475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.956475 (E_RNA) where: Base-Base interactions energy: -262.891 where: short stacking energy: -157.889 Base-Backbone interact. energy: 0.780 local terms energy: -256.845492 where: bonds (distance) C4'-P energy: -69.578 bonds (distance) P-C4' energy: -77.587 flat angles C4'-P-C4' energy: -65.645 flat angles P-C4'-P energy: -33.026 tors. eta vs tors. theta energy: -11.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1604.129437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.129437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.129437 (E_RNA) where: Base-Base interactions energy: -1133.205 where: short stacking energy: -452.760 Base-Backbone interact. energy: -2.062 local terms energy: -468.862510 where: bonds (distance) C4'-P energy: -92.021 bonds (distance) P-C4' energy: -89.866 flat angles C4'-P-C4' energy: -97.862 flat angles P-C4'-P energy: -66.439 tors. eta vs tors. theta energy: -122.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1478.381325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.381325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.381325 (E_RNA) where: Base-Base interactions energy: -1028.075 where: short stacking energy: -458.631 Base-Backbone interact. energy: -0.906 local terms energy: -449.400223 where: bonds (distance) C4'-P energy: -81.292 bonds (distance) P-C4' energy: -89.944 flat angles C4'-P-C4' energy: -91.233 flat angles P-C4'-P energy: -65.320 tors. eta vs tors. theta energy: -121.611 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: 396 Temperature: 1.000000 Total energy: -1480.883765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.883765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.883765 (E_RNA) where: Base-Base interactions energy: -1037.918 where: short stacking energy: -432.918 Base-Backbone interact. energy: -0.958 local terms energy: -442.007930 where: bonds (distance) C4'-P energy: -85.503 bonds (distance) P-C4' energy: -75.788 flat angles C4'-P-C4' energy: -93.096 flat angles P-C4'-P energy: -67.954 tors. eta vs tors. theta energy: -119.667 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: 10 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1417.036677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.036677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.036677 (E_RNA) where: Base-Base interactions energy: -998.026 where: short stacking energy: -427.728 Base-Backbone interact. energy: -5.112 local terms energy: -413.899411 where: bonds (distance) C4'-P energy: -71.652 bonds (distance) P-C4' energy: -85.700 flat angles C4'-P-C4' energy: -82.360 flat angles P-C4'-P energy: -52.008 tors. eta vs tors. theta energy: -122.180 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: 5, replica: 9 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1368.180874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.180874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.180874 (E_RNA) where: Base-Base interactions energy: -962.320 where: short stacking energy: -418.549 Base-Backbone interact. energy: -1.181 local terms energy: -404.679238 where: bonds (distance) C4'-P energy: -76.537 bonds (distance) P-C4' energy: -70.569 flat angles C4'-P-C4' energy: -86.821 flat angles P-C4'-P energy: -58.129 tors. eta vs tors. theta energy: -112.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1272.710677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.710677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.710677 (E_RNA) where: Base-Base interactions energy: -892.037 where: short stacking energy: -382.596 Base-Backbone interact. energy: 5.382 local terms energy: -386.056234 where: bonds (distance) C4'-P energy: -74.587 bonds (distance) P-C4' energy: -74.578 flat angles C4'-P-C4' energy: -85.209 flat angles P-C4'-P energy: -56.458 tors. eta vs tors. theta energy: -95.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1154.456261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.456261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.456261 (E_RNA) where: Base-Base interactions energy: -780.111 where: short stacking energy: -332.159 Base-Backbone interact. energy: -1.596 local terms energy: -372.749269 where: bonds (distance) C4'-P energy: -59.955 bonds (distance) P-C4' energy: -82.554 flat angles C4'-P-C4' energy: -82.368 flat angles P-C4'-P energy: -57.880 tors. eta vs tors. theta energy: -89.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -974.108302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.108302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.108302 (E_RNA) where: Base-Base interactions energy: -670.354 where: short stacking energy: -278.491 Base-Backbone interact. energy: 2.843 local terms energy: -306.597397 where: bonds (distance) C4'-P energy: -75.544 bonds (distance) P-C4' energy: -64.828 flat angles C4'-P-C4' energy: -72.116 flat angles P-C4'-P energy: -38.645 tors. eta vs tors. theta energy: -55.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -766.773798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.773798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.773798 (E_RNA) where: Base-Base interactions energy: -470.978 where: short stacking energy: -231.166 Base-Backbone interact. energy: -1.710 local terms energy: -294.085723 where: bonds (distance) C4'-P energy: -70.618 bonds (distance) P-C4' energy: -67.957 flat angles C4'-P-C4' energy: -71.694 flat angles P-C4'-P energy: -48.260 tors. eta vs tors. theta energy: -35.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -514.579991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.579991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.579991 (E_RNA) where: Base-Base interactions energy: -272.999 where: short stacking energy: -136.788 Base-Backbone interact. energy: -1.784 local terms energy: -239.796517 where: bonds (distance) C4'-P energy: -71.142 bonds (distance) P-C4' energy: -66.674 flat angles C4'-P-C4' energy: -53.744 flat angles P-C4'-P energy: -40.114 tors. eta vs tors. theta energy: -8.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1605.916332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.916332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.916332 (E_RNA) where: Base-Base interactions energy: -1141.110 where: short stacking energy: -460.998 Base-Backbone interact. energy: -0.241 local terms energy: -464.565937 where: bonds (distance) C4'-P energy: -78.887 bonds (distance) P-C4' energy: -91.186 flat angles C4'-P-C4' energy: -100.670 flat angles P-C4'-P energy: -66.434 tors. eta vs tors. theta energy: -127.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1499.482964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.482964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.482964 (E_RNA) where: Base-Base interactions energy: -1059.789 where: short stacking energy: -451.609 Base-Backbone interact. energy: -0.758 local terms energy: -438.936282 where: bonds (distance) C4'-P energy: -84.322 bonds (distance) P-C4' energy: -75.568 flat angles C4'-P-C4' energy: -92.763 flat angles P-C4'-P energy: -59.959 tors. eta vs tors. theta energy: -126.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1463.302548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.302548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.302548 (E_RNA) where: Base-Base interactions energy: -1026.308 where: short stacking energy: -440.118 Base-Backbone interact. energy: 4.677 local terms energy: -441.671891 where: bonds (distance) C4'-P energy: -86.050 bonds (distance) P-C4' energy: -75.705 flat angles C4'-P-C4' energy: -91.789 flat angles P-C4'-P energy: -61.308 tors. eta vs tors. theta energy: -126.820 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: 10 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1407.011492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.011492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.011492 (E_RNA) where: Base-Base interactions energy: -996.009 where: short stacking energy: -451.945 Base-Backbone interact. energy: 0.307 local terms energy: -411.309661 where: bonds (distance) C4'-P energy: -59.979 bonds (distance) P-C4' energy: -79.501 flat angles C4'-P-C4' energy: -92.014 flat angles P-C4'-P energy: -51.201 tors. eta vs tors. theta energy: -128.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -1363.633785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.633785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.633785 (E_RNA) where: Base-Base interactions energy: -942.634 where: short stacking energy: -416.566 Base-Backbone interact. energy: 0.132 local terms energy: -421.132322 where: bonds (distance) C4'-P energy: -80.280 bonds (distance) P-C4' energy: -75.565 flat angles C4'-P-C4' energy: -96.419 flat angles P-C4'-P energy: -53.491 tors. eta vs tors. theta energy: -115.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1266.842653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.842653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.842653 (E_RNA) where: Base-Base interactions energy: -886.569 where: short stacking energy: -366.480 Base-Backbone interact. energy: -2.419 local terms energy: -377.855262 where: bonds (distance) C4'-P energy: -74.993 bonds (distance) P-C4' energy: -82.216 flat angles C4'-P-C4' energy: -85.211 flat angles P-C4'-P energy: -43.928 tors. eta vs tors. theta energy: -91.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1173.477775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.477775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.477775 (E_RNA) where: Base-Base interactions energy: -819.665 where: short stacking energy: -379.584 Base-Backbone interact. energy: -3.593 local terms energy: -350.219788 where: bonds (distance) C4'-P energy: -60.765 bonds (distance) P-C4' energy: -63.856 flat angles C4'-P-C4' energy: -66.673 flat angles P-C4'-P energy: -58.776 tors. eta vs tors. theta energy: -100.150 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: 8, replica: 7 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1005.444799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.444799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.444799 (E_RNA) where: Base-Base interactions energy: -698.786 where: short stacking energy: -316.390 Base-Backbone interact. energy: 0.842 local terms energy: -307.500365 where: bonds (distance) C4'-P energy: -66.495 bonds (distance) P-C4' energy: -57.995 flat angles C4'-P-C4' energy: -68.794 flat angles P-C4'-P energy: -40.563 tors. eta vs tors. theta energy: -73.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -780.070323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.070323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.070323 (E_RNA) where: Base-Base interactions energy: -473.393 where: short stacking energy: -249.720 Base-Backbone interact. energy: -0.828 local terms energy: -305.849431 where: bonds (distance) C4'-P energy: -66.578 bonds (distance) P-C4' energy: -68.882 flat angles C4'-P-C4' energy: -77.465 flat angles P-C4'-P energy: -42.392 tors. eta vs tors. theta energy: -50.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -530.468420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.468420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.468420 (E_RNA) where: Base-Base interactions energy: -265.423 where: short stacking energy: -177.260 Base-Backbone interact. energy: 4.586 local terms energy: -269.630946 where: bonds (distance) C4'-P energy: -57.091 bonds (distance) P-C4' energy: -73.922 flat angles C4'-P-C4' energy: -66.108 flat angles P-C4'-P energy: -55.982 tors. eta vs tors. theta energy: -16.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1596.134384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.134384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.134384 (E_RNA) where: Base-Base interactions energy: -1138.398 where: short stacking energy: -471.467 Base-Backbone interact. energy: 0.027 local terms energy: -457.763356 where: bonds (distance) C4'-P energy: -83.766 bonds (distance) P-C4' energy: -78.026 flat angles C4'-P-C4' energy: -101.935 flat angles P-C4'-P energy: -65.157 tors. eta vs tors. theta energy: -128.879 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: 2, replica: 8 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1506.431429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.431429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.431429 (E_RNA) where: Base-Base interactions energy: -1054.931 where: short stacking energy: -455.633 Base-Backbone interact. energy: 0.321 local terms energy: -451.821510 where: bonds (distance) C4'-P energy: -77.927 bonds (distance) P-C4' energy: -81.534 flat angles C4'-P-C4' energy: -100.059 flat angles P-C4'-P energy: -69.713 tors. eta vs tors. theta energy: -122.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -1468.009778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.009778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.009778 (E_RNA) where: Base-Base interactions energy: -1007.717 where: short stacking energy: -449.195 Base-Backbone interact. energy: -2.655 local terms energy: -457.637014 where: bonds (distance) C4'-P energy: -83.985 bonds (distance) P-C4' energy: -74.535 flat angles C4'-P-C4' energy: -104.734 flat angles P-C4'-P energy: -63.362 tors. eta vs tors. theta energy: -131.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -1411.164775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.164775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.164775 (E_RNA) where: Base-Base interactions energy: -966.500 where: short stacking energy: -432.388 Base-Backbone interact. energy: -0.860 local terms energy: -443.804724 where: bonds (distance) C4'-P energy: -92.224 bonds (distance) P-C4' energy: -80.691 flat angles C4'-P-C4' energy: -91.123 flat angles P-C4'-P energy: -56.215 tors. eta vs tors. theta energy: -123.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -1316.666138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.666138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.666138 (E_RNA) where: Base-Base interactions energy: -918.136 where: short stacking energy: -407.865 Base-Backbone interact. energy: 3.543 local terms energy: -402.072898 where: bonds (distance) C4'-P energy: -69.369 bonds (distance) P-C4' energy: -72.343 flat angles C4'-P-C4' energy: -93.544 flat angles P-C4'-P energy: -60.416 tors. eta vs tors. theta energy: -106.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1287.891790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.891790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.891790 (E_RNA) where: Base-Base interactions energy: -909.541 where: short stacking energy: -377.710 Base-Backbone interact. energy: -0.682 local terms energy: -377.668885 where: bonds (distance) C4'-P energy: -70.071 bonds (distance) P-C4' energy: -79.185 flat angles C4'-P-C4' energy: -82.161 flat angles P-C4'-P energy: -53.171 tors. eta vs tors. theta energy: -93.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1201.530061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.530061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.530061 (E_RNA) where: Base-Base interactions energy: -834.529 where: short stacking energy: -362.263 Base-Backbone interact. energy: 0.529 local terms energy: -367.529775 where: bonds (distance) C4'-P energy: -69.632 bonds (distance) P-C4' energy: -84.414 flat angles C4'-P-C4' energy: -71.654 flat angles P-C4'-P energy: -54.329 tors. eta vs tors. theta energy: -87.501 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: 7 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -959.354029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.354029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.354029 (E_RNA) where: Base-Base interactions energy: -623.264 where: short stacking energy: -281.021 Base-Backbone interact. energy: 0.102 local terms energy: -336.192016 where: bonds (distance) C4'-P energy: -72.186 bonds (distance) P-C4' energy: -65.128 flat angles C4'-P-C4' energy: -78.261 flat angles P-C4'-P energy: -51.361 tors. eta vs tors. theta energy: -69.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -719.973861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.973861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.973861 (E_RNA) where: Base-Base interactions energy: -441.602 where: short stacking energy: -218.942 Base-Backbone interact. energy: 0.318 local terms energy: -278.690053 where: bonds (distance) C4'-P energy: -64.105 bonds (distance) P-C4' energy: -67.539 flat angles C4'-P-C4' energy: -71.329 flat angles P-C4'-P energy: -39.013 tors. eta vs tors. theta energy: -36.705 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: 10, replica: 4 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -510.895493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.895493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.895493 (E_RNA) where: Base-Base interactions energy: -284.417 where: short stacking energy: -151.841 Base-Backbone interact. energy: 0.399 local terms energy: -226.878010 where: bonds (distance) C4'-P energy: -69.857 bonds (distance) P-C4' energy: -74.984 flat angles C4'-P-C4' energy: -58.762 flat angles P-C4'-P energy: -25.799 tors. eta vs tors. theta energy: 2.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1597.382279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.382279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.382279 (E_RNA) where: Base-Base interactions energy: -1135.300 where: short stacking energy: -458.895 Base-Backbone interact. energy: -2.376 local terms energy: -459.706637 where: bonds (distance) C4'-P energy: -87.678 bonds (distance) P-C4' energy: -82.180 flat angles C4'-P-C4' energy: -100.565 flat angles P-C4'-P energy: -59.910 tors. eta vs tors. theta energy: -129.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1497.529294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.529294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.529294 (E_RNA) where: Base-Base interactions energy: -1041.854 where: short stacking energy: -448.206 Base-Backbone interact. energy: -3.200 local terms energy: -452.474718 where: bonds (distance) C4'-P energy: -76.734 bonds (distance) P-C4' energy: -86.899 flat angles C4'-P-C4' energy: -94.421 flat angles P-C4'-P energy: -63.529 tors. eta vs tors. theta energy: -130.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1463.545689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.545689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.545689 (E_RNA) where: Base-Base interactions energy: -1003.698 where: short stacking energy: -434.065 Base-Backbone interact. energy: -1.278 local terms energy: -458.569758 where: bonds (distance) C4'-P energy: -66.929 bonds (distance) P-C4' energy: -96.585 flat angles C4'-P-C4' energy: -100.883 flat angles P-C4'-P energy: -64.915 tors. eta vs tors. theta energy: -129.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1399.526594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.526594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.526594 (E_RNA) where: Base-Base interactions energy: -975.896 where: short stacking energy: -443.401 Base-Backbone interact. energy: -0.226 local terms energy: -423.403672 where: bonds (distance) C4'-P energy: -73.848 bonds (distance) P-C4' energy: -69.232 flat angles C4'-P-C4' energy: -92.232 flat angles P-C4'-P energy: -58.594 tors. eta vs tors. theta energy: -129.498 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: 1 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -1357.414071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.414071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.414071 (E_RNA) where: Base-Base interactions energy: -938.386 where: short stacking energy: -412.868 Base-Backbone interact. energy: 6.595 local terms energy: -425.623322 where: bonds (distance) C4'-P energy: -76.415 bonds (distance) P-C4' energy: -83.405 flat angles C4'-P-C4' energy: -91.518 flat angles P-C4'-P energy: -66.677 tors. eta vs tors. theta energy: -107.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1308.105786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.105786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.105786 (E_RNA) where: Base-Base interactions energy: -932.153 where: short stacking energy: -404.368 Base-Backbone interact. energy: -0.943 local terms energy: -375.009728 where: bonds (distance) C4'-P energy: -73.255 bonds (distance) P-C4' energy: -62.240 flat angles C4'-P-C4' energy: -71.535 flat angles P-C4'-P energy: -51.628 tors. eta vs tors. theta energy: -116.352 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: 6 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1201.809328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.809328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.809328 (E_RNA) where: Base-Base interactions energy: -838.055 where: short stacking energy: -373.355 Base-Backbone interact. energy: 0.530 local terms energy: -364.284704 where: bonds (distance) C4'-P energy: -63.719 bonds (distance) P-C4' energy: -72.279 flat angles C4'-P-C4' energy: -76.301 flat angles P-C4'-P energy: -59.558 tors. eta vs tors. theta energy: -92.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -939.453053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.453053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.453053 (E_RNA) where: Base-Base interactions energy: -629.453 where: short stacking energy: -288.655 Base-Backbone interact. energy: -0.253 local terms energy: -309.746813 where: bonds (distance) C4'-P energy: -61.950 bonds (distance) P-C4' energy: -70.312 flat angles C4'-P-C4' energy: -86.284 flat angles P-C4'-P energy: -29.412 tors. eta vs tors. theta energy: -61.789 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: 9, replica: 5 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -722.138266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.138266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.138266 (E_RNA) where: Base-Base interactions energy: -436.441 where: short stacking energy: -218.998 Base-Backbone interact. energy: -0.758 local terms energy: -284.938951 where: bonds (distance) C4'-P energy: -58.055 bonds (distance) P-C4' energy: -75.803 flat angles C4'-P-C4' energy: -73.475 flat angles P-C4'-P energy: -39.518 tors. eta vs tors. theta energy: -38.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -448.972552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.972552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.972552 (E_RNA) where: Base-Base interactions energy: -240.183 where: short stacking energy: -133.657 Base-Backbone interact. energy: -2.423 local terms energy: -206.366882 where: bonds (distance) C4'-P energy: -63.695 bonds (distance) P-C4' energy: -65.478 flat angles C4'-P-C4' energy: -48.126 flat angles P-C4'-P energy: -35.949 tors. eta vs tors. theta energy: 6.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1606.621581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.621581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.621581 (E_RNA) where: Base-Base interactions energy: -1130.181 where: short stacking energy: -457.104 Base-Backbone interact. energy: -1.704 local terms energy: -474.736969 where: bonds (distance) C4'-P energy: -91.895 bonds (distance) P-C4' energy: -84.471 flat angles C4'-P-C4' energy: -97.588 flat angles P-C4'-P energy: -70.921 tors. eta vs tors. theta energy: -129.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1503.948947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.948947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.948947 (E_RNA) where: Base-Base interactions energy: -1056.238 where: short stacking energy: -453.606 Base-Backbone interact. energy: 0.879 local terms energy: -448.590346 where: bonds (distance) C4'-P energy: -80.379 bonds (distance) P-C4' energy: -91.578 flat angles C4'-P-C4' energy: -97.616 flat angles P-C4'-P energy: -49.747 tors. eta vs tors. theta energy: -129.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1467.343343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.343343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.343343 (E_RNA) where: Base-Base interactions energy: -1021.987 where: short stacking energy: -449.548 Base-Backbone interact. energy: 1.717 local terms energy: -447.074097 where: bonds (distance) C4'-P energy: -78.393 bonds (distance) P-C4' energy: -83.320 flat angles C4'-P-C4' energy: -100.099 flat angles P-C4'-P energy: -54.543 tors. eta vs tors. theta energy: -130.719 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: 10 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1393.741246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.741246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.741246 (E_RNA) where: Base-Base interactions energy: -945.758 where: short stacking energy: -422.078 Base-Backbone interact. energy: -2.568 local terms energy: -445.415905 where: bonds (distance) C4'-P energy: -83.825 bonds (distance) P-C4' energy: -77.255 flat angles C4'-P-C4' energy: -96.712 flat angles P-C4'-P energy: -63.819 tors. eta vs tors. theta energy: -123.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -1334.175568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.175568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.175568 (E_RNA) where: Base-Base interactions energy: -923.216 where: short stacking energy: -387.742 Base-Backbone interact. energy: -3.229 local terms energy: -407.730884 where: bonds (distance) C4'-P energy: -76.691 bonds (distance) P-C4' energy: -78.078 flat angles C4'-P-C4' energy: -89.587 flat angles P-C4'-P energy: -57.316 tors. eta vs tors. theta energy: -106.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1266.756255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.756255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.756255 (E_RNA) where: Base-Base interactions energy: -896.538 where: short stacking energy: -377.152 Base-Backbone interact. energy: -1.322 local terms energy: -368.895920 where: bonds (distance) C4'-P energy: -73.789 bonds (distance) P-C4' energy: -66.661 flat angles C4'-P-C4' energy: -85.489 flat angles P-C4'-P energy: -52.312 tors. eta vs tors. theta energy: -90.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1184.862698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.862698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.862698 (E_RNA) where: Base-Base interactions energy: -831.620 where: short stacking energy: -342.590 Base-Backbone interact. energy: -1.313 local terms energy: -351.930198 where: bonds (distance) C4'-P energy: -62.240 bonds (distance) P-C4' energy: -72.585 flat angles C4'-P-C4' energy: -75.379 flat angles P-C4'-P energy: -57.229 tors. eta vs tors. theta energy: -84.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -967.303624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.303624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.303624 (E_RNA) where: Base-Base interactions energy: -658.323 where: short stacking energy: -299.362 Base-Backbone interact. energy: 1.545 local terms energy: -310.525822 where: bonds (distance) C4'-P energy: -72.394 bonds (distance) P-C4' energy: -56.949 flat angles C4'-P-C4' energy: -73.938 flat angles P-C4'-P energy: -41.455 tors. eta vs tors. theta energy: -65.789 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: 9, replica: 5 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -753.221751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.221751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.221751 (E_RNA) where: Base-Base interactions energy: -470.546 where: short stacking energy: -229.296 Base-Backbone interact. energy: -0.906 local terms energy: -281.770387 where: bonds (distance) C4'-P energy: -80.295 bonds (distance) P-C4' energy: -53.153 flat angles C4'-P-C4' energy: -56.951 flat angles P-C4'-P energy: -52.276 tors. eta vs tors. theta energy: -39.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -450.988958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.988958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.988958 (E_RNA) where: Base-Base interactions energy: -218.118 where: short stacking energy: -127.227 Base-Backbone interact. energy: -1.297 local terms energy: -231.574602 where: bonds (distance) C4'-P energy: -69.947 bonds (distance) P-C4' energy: -74.956 flat angles C4'-P-C4' energy: -59.959 flat angles P-C4'-P energy: -29.698 tors. eta vs tors. theta energy: 2.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1578.525035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.525035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.525035 (E_RNA) where: Base-Base interactions energy: -1130.079 where: short stacking energy: -450.925 Base-Backbone interact. energy: -2.631 local terms energy: -445.814952 where: bonds (distance) C4'-P energy: -70.686 bonds (distance) P-C4' energy: -93.150 flat angles C4'-P-C4' energy: -96.353 flat angles P-C4'-P energy: -67.352 tors. eta vs tors. theta energy: -118.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1487.446453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.446453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.446453 (E_RNA) where: Base-Base interactions energy: -1038.402 where: short stacking energy: -451.576 Base-Backbone interact. energy: -1.359 local terms energy: -447.685542 where: bonds (distance) C4'-P energy: -74.140 bonds (distance) P-C4' energy: -81.293 flat angles C4'-P-C4' energy: -97.183 flat angles P-C4'-P energy: -70.099 tors. eta vs tors. theta energy: -124.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1446.445151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.445151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.445151 (E_RNA) where: Base-Base interactions energy: -1024.395 where: short stacking energy: -445.231 Base-Backbone interact. energy: 0.055 local terms energy: -422.105247 where: bonds (distance) C4'-P energy: -70.111 bonds (distance) P-C4' energy: -85.588 flat angles C4'-P-C4' energy: -88.656 flat angles P-C4'-P energy: -58.808 tors. eta vs tors. theta energy: -118.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1403.634969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.634969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.634969 (E_RNA) where: Base-Base interactions energy: -955.826 where: short stacking energy: -417.278 Base-Backbone interact. energy: -1.898 local terms energy: -445.910158 where: bonds (distance) C4'-P energy: -73.904 bonds (distance) P-C4' energy: -84.293 flat angles C4'-P-C4' energy: -92.701 flat angles P-C4'-P energy: -70.279 tors. eta vs tors. theta energy: -124.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1368.013826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.013826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.013826 (E_RNA) where: Base-Base interactions energy: -935.566 where: short stacking energy: -395.515 Base-Backbone interact. energy: -1.096 local terms energy: -431.352109 where: bonds (distance) C4'-P energy: -85.704 bonds (distance) P-C4' energy: -84.549 flat angles C4'-P-C4' energy: -84.207 flat angles P-C4'-P energy: -59.604 tors. eta vs tors. theta energy: -117.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1277.078277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.078277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.078277 (E_RNA) where: Base-Base interactions energy: -899.341 where: short stacking energy: -369.450 Base-Backbone interact. energy: 4.212 local terms energy: -381.948993 where: bonds (distance) C4'-P energy: -80.518 bonds (distance) P-C4' energy: -74.642 flat angles C4'-P-C4' energy: -81.077 flat angles P-C4'-P energy: -50.136 tors. eta vs tors. theta energy: -95.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1167.736313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.736313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.736313 (E_RNA) where: Base-Base interactions energy: -794.132 where: short stacking energy: -340.401 Base-Backbone interact. energy: -0.604 local terms energy: -372.999798 where: bonds (distance) C4'-P energy: -81.026 bonds (distance) P-C4' energy: -82.347 flat angles C4'-P-C4' energy: -78.705 flat angles P-C4'-P energy: -47.665 tors. eta vs tors. theta energy: -83.257 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: 7 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -962.769624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.769624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.769624 (E_RNA) where: Base-Base interactions energy: -643.051 where: short stacking energy: -295.058 Base-Backbone interact. energy: -1.166 local terms energy: -318.553077 where: bonds (distance) C4'-P energy: -67.013 bonds (distance) P-C4' energy: -75.820 flat angles C4'-P-C4' energy: -71.168 flat angles P-C4'-P energy: -44.205 tors. eta vs tors. theta energy: -60.346 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: 9, replica: 5 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -744.301696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.301696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.301696 (E_RNA) where: Base-Base interactions energy: -455.197 where: short stacking energy: -213.654 Base-Backbone interact. energy: -1.347 local terms energy: -287.757405 where: bonds (distance) C4'-P energy: -60.177 bonds (distance) P-C4' energy: -78.618 flat angles C4'-P-C4' energy: -67.826 flat angles P-C4'-P energy: -46.253 tors. eta vs tors. theta energy: -34.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -478.949071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.949071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.949071 (E_RNA) where: Base-Base interactions energy: -250.841 where: short stacking energy: -130.166 Base-Backbone interact. energy: 0.846 local terms energy: -228.953471 where: bonds (distance) C4'-P energy: -70.377 bonds (distance) P-C4' energy: -72.176 flat angles C4'-P-C4' energy: -49.178 flat angles P-C4'-P energy: -34.402 tors. eta vs tors. theta energy: -2.820 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: 3 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1596.268472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.268472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.268472 (E_RNA) where: Base-Base interactions energy: -1136.735 where: short stacking energy: -460.209 Base-Backbone interact. energy: 0.153 local terms energy: -459.685916 where: bonds (distance) C4'-P energy: -77.774 bonds (distance) P-C4' energy: -86.532 flat angles C4'-P-C4' energy: -100.256 flat angles P-C4'-P energy: -66.488 tors. eta vs tors. theta energy: -128.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1485.289086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.289086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.289086 (E_RNA) where: Base-Base interactions energy: -1037.562 where: short stacking energy: -448.507 Base-Backbone interact. energy: -1.790 local terms energy: -445.937591 where: bonds (distance) C4'-P energy: -89.873 bonds (distance) P-C4' energy: -77.568 flat angles C4'-P-C4' energy: -92.292 flat angles P-C4'-P energy: -65.852 tors. eta vs tors. theta energy: -120.352 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: 3, replica: 2 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1442.113586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.113586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.113586 (E_RNA) where: Base-Base interactions energy: -1000.602 where: short stacking energy: -439.478 Base-Backbone interact. energy: -0.966 local terms energy: -440.544888 where: bonds (distance) C4'-P energy: -78.442 bonds (distance) P-C4' energy: -76.023 flat angles C4'-P-C4' energy: -102.380 flat angles P-C4'-P energy: -61.027 tors. eta vs tors. theta energy: -122.672 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: 10 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1413.129908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.129908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.129908 (E_RNA) where: Base-Base interactions energy: -970.867 where: short stacking energy: -428.779 Base-Backbone interact. energy: -0.639 local terms energy: -441.624336 where: bonds (distance) C4'-P energy: -79.698 bonds (distance) P-C4' energy: -81.959 flat angles C4'-P-C4' energy: -86.087 flat angles P-C4'-P energy: -63.718 tors. eta vs tors. theta energy: -130.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -1335.899282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.899282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.899282 (E_RNA) where: Base-Base interactions energy: -921.396 where: short stacking energy: -402.008 Base-Backbone interact. energy: -1.242 local terms energy: -413.262038 where: bonds (distance) C4'-P energy: -68.902 bonds (distance) P-C4' energy: -85.175 flat angles C4'-P-C4' energy: -86.768 flat angles P-C4'-P energy: -64.326 tors. eta vs tors. theta energy: -108.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1248.509837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.509837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.509837 (E_RNA) where: Base-Base interactions energy: -880.698 where: short stacking energy: -381.782 Base-Backbone interact. energy: -2.690 local terms energy: -365.122049 where: bonds (distance) C4'-P energy: -57.365 bonds (distance) P-C4' energy: -75.724 flat angles C4'-P-C4' energy: -80.915 flat angles P-C4'-P energy: -56.973 tors. eta vs tors. theta energy: -94.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1167.490709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.490709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.490709 (E_RNA) where: Base-Base interactions energy: -776.742 where: short stacking energy: -344.273 Base-Backbone interact. energy: -1.457 local terms energy: -389.292549 where: bonds (distance) C4'-P energy: -82.326 bonds (distance) P-C4' energy: -70.804 flat angles C4'-P-C4' energy: -90.818 flat angles P-C4'-P energy: -57.716 tors. eta vs tors. theta energy: -87.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1036.297880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.297880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.297880 (E_RNA) where: Base-Base interactions energy: -687.828 where: short stacking energy: -301.060 Base-Backbone interact. energy: -0.703 local terms energy: -347.767742 where: bonds (distance) C4'-P energy: -64.532 bonds (distance) P-C4' energy: -69.245 flat angles C4'-P-C4' energy: -84.473 flat angles P-C4'-P energy: -53.362 tors. eta vs tors. theta energy: -76.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -714.617997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.617997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.617997 (E_RNA) where: Base-Base interactions energy: -449.427 where: short stacking energy: -229.787 Base-Backbone interact. energy: -0.338 local terms energy: -264.853670 where: bonds (distance) C4'-P energy: -59.145 bonds (distance) P-C4' energy: -48.393 flat angles C4'-P-C4' energy: -74.195 flat angles P-C4'-P energy: -40.799 tors. eta vs tors. theta energy: -42.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -492.633072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.633072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.633072 (E_RNA) where: Base-Base interactions energy: -259.317 where: short stacking energy: -130.681 Base-Backbone interact. energy: -0.721 local terms energy: -232.595313 where: bonds (distance) C4'-P energy: -49.756 bonds (distance) P-C4' energy: -81.591 flat angles C4'-P-C4' energy: -69.204 flat angles P-C4'-P energy: -41.876 tors. eta vs tors. theta energy: 9.831 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: 3 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1603.473414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.473414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.473414 (E_RNA) where: Base-Base interactions energy: -1171.908 where: short stacking energy: -475.093 Base-Backbone interact. energy: -1.980 local terms energy: -429.585155 where: bonds (distance) C4'-P energy: -81.605 bonds (distance) P-C4' energy: -68.320 flat angles C4'-P-C4' energy: -91.256 flat angles P-C4'-P energy: -64.275 tors. eta vs tors. theta energy: -124.128 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: 2, replica: 8 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1506.835977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.835977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.835977 (E_RNA) where: Base-Base interactions energy: -1052.111 where: short stacking energy: -444.840 Base-Backbone interact. energy: -1.065 local terms energy: -453.659629 where: bonds (distance) C4'-P energy: -84.556 bonds (distance) P-C4' energy: -91.828 flat angles C4'-P-C4' energy: -93.840 flat angles P-C4'-P energy: -59.420 tors. eta vs tors. theta energy: -124.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1472.767248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.767248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.767248 (E_RNA) where: Base-Base interactions energy: -1035.416 where: short stacking energy: -455.522 Base-Backbone interact. energy: 1.455 local terms energy: -438.805996 where: bonds (distance) C4'-P energy: -73.369 bonds (distance) P-C4' energy: -83.212 flat angles C4'-P-C4' energy: -91.754 flat angles P-C4'-P energy: -61.051 tors. eta vs tors. theta energy: -129.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1431.481416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.481416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.481416 (E_RNA) where: Base-Base interactions energy: -1011.758 where: short stacking energy: -444.775 Base-Backbone interact. energy: -1.752 local terms energy: -417.971324 where: bonds (distance) C4'-P energy: -76.051 bonds (distance) P-C4' energy: -72.335 flat angles C4'-P-C4' energy: -91.301 flat angles P-C4'-P energy: -52.556 tors. eta vs tors. theta energy: -125.729 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: 403 Temperature: 1.100000 Total energy: -1333.454315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.454315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.454315 (E_RNA) where: Base-Base interactions energy: -923.703 where: short stacking energy: -402.185 Base-Backbone interact. energy: 0.681 local terms energy: -410.432375 where: bonds (distance) C4'-P energy: -62.093 bonds (distance) P-C4' energy: -83.157 flat angles C4'-P-C4' energy: -98.860 flat angles P-C4'-P energy: -55.653 tors. eta vs tors. theta energy: -110.669 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: 1 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1228.776704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.776704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.776704 (E_RNA) where: Base-Base interactions energy: -849.654 where: short stacking energy: -336.337 Base-Backbone interact. energy: -4.555 local terms energy: -374.567621 where: bonds (distance) C4'-P energy: -72.431 bonds (distance) P-C4' energy: -81.083 flat angles C4'-P-C4' energy: -82.063 flat angles P-C4'-P energy: -59.225 tors. eta vs tors. theta energy: -79.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1195.757424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.757424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.757424 (E_RNA) where: Base-Base interactions energy: -818.236 where: short stacking energy: -332.823 Base-Backbone interact. energy: -1.783 local terms energy: -375.738191 where: bonds (distance) C4'-P energy: -82.170 bonds (distance) P-C4' energy: -69.903 flat angles C4'-P-C4' energy: -89.292 flat angles P-C4'-P energy: -50.782 tors. eta vs tors. theta energy: -83.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -968.621158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.621158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.621158 (E_RNA) where: Base-Base interactions energy: -639.135 where: short stacking energy: -281.013 Base-Backbone interact. energy: 1.279 local terms energy: -330.765212 where: bonds (distance) C4'-P energy: -54.388 bonds (distance) P-C4' energy: -83.104 flat angles C4'-P-C4' energy: -81.039 flat angles P-C4'-P energy: -46.831 tors. eta vs tors. theta energy: -65.403 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: 5 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -779.493063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.493063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.493063 (E_RNA) where: Base-Base interactions energy: -500.328 where: short stacking energy: -235.815 Base-Backbone interact. energy: 1.806 local terms energy: -280.970556 where: bonds (distance) C4'-P energy: -60.533 bonds (distance) P-C4' energy: -62.352 flat angles C4'-P-C4' energy: -70.442 flat angles P-C4'-P energy: -48.731 tors. eta vs tors. theta energy: -38.912 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: 4 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -490.909684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.909684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.909684 (E_RNA) where: Base-Base interactions energy: -270.572 where: short stacking energy: -156.029 Base-Backbone interact. energy: -1.653 local terms energy: -218.685144 where: bonds (distance) C4'-P energy: -44.407 bonds (distance) P-C4' energy: -56.779 flat angles C4'-P-C4' energy: -75.417 flat angles P-C4'-P energy: -27.420 tors. eta vs tors. theta energy: -14.663 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: 3 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1609.750607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.750607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.750607 (E_RNA) where: Base-Base interactions energy: -1146.332 where: short stacking energy: -477.862 Base-Backbone interact. energy: 0.095 local terms energy: -463.513802 where: bonds (distance) C4'-P energy: -90.343 bonds (distance) P-C4' energy: -84.480 flat angles C4'-P-C4' energy: -96.256 flat angles P-C4'-P energy: -65.136 tors. eta vs tors. theta energy: -127.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -1476.720819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.720819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.720819 (E_RNA) where: Base-Base interactions energy: -1028.838 where: short stacking energy: -449.339 Base-Backbone interact. energy: -1.497 local terms energy: -446.386041 where: bonds (distance) C4'-P energy: -83.707 bonds (distance) P-C4' energy: -81.060 flat angles C4'-P-C4' energy: -94.389 flat angles P-C4'-P energy: -64.495 tors. eta vs tors. theta energy: -122.735 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: 2 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1447.987081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.987081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.987081 (E_RNA) where: Base-Base interactions energy: -993.037 where: short stacking energy: -435.240 Base-Backbone interact. energy: -2.199 local terms energy: -452.751483 where: bonds (distance) C4'-P energy: -83.967 bonds (distance) P-C4' energy: -83.477 flat angles C4'-P-C4' energy: -97.954 flat angles P-C4'-P energy: -58.858 tors. eta vs tors. theta energy: -128.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1428.657822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.657822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.657822 (E_RNA) where: Base-Base interactions energy: -997.185 where: short stacking energy: -432.697 Base-Backbone interact. energy: -0.820 local terms energy: -430.653153 where: bonds (distance) C4'-P energy: -81.787 bonds (distance) P-C4' energy: -89.627 flat angles C4'-P-C4' energy: -85.104 flat angles P-C4'-P energy: -54.101 tors. eta vs tors. theta energy: -120.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -1367.121502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.121502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.121502 (E_RNA) where: Base-Base interactions energy: -948.502 where: short stacking energy: -420.694 Base-Backbone interact. energy: 1.470 local terms energy: -420.090178 where: bonds (distance) C4'-P energy: -80.524 bonds (distance) P-C4' energy: -78.032 flat angles C4'-P-C4' energy: -87.194 flat angles P-C4'-P energy: -54.318 tors. eta vs tors. theta energy: -120.022 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: 404 Temperature: 1.150000 Total energy: -1283.099052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.099052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.099052 (E_RNA) where: Base-Base interactions energy: -903.506 where: short stacking energy: -383.464 Base-Backbone interact. energy: 4.629 local terms energy: -384.221880 where: bonds (distance) C4'-P energy: -48.186 bonds (distance) P-C4' energy: -79.459 flat angles C4'-P-C4' energy: -96.557 flat angles P-C4'-P energy: -60.650 tors. eta vs tors. theta energy: -99.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1190.582610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.582610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.582610 (E_RNA) where: Base-Base interactions energy: -829.332 where: short stacking energy: -342.438 Base-Backbone interact. energy: 0.923 local terms energy: -362.173635 where: bonds (distance) C4'-P energy: -55.852 bonds (distance) P-C4' energy: -69.352 flat angles C4'-P-C4' energy: -85.502 flat angles P-C4'-P energy: -50.840 tors. eta vs tors. theta energy: -100.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -952.861900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.861900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.861900 (E_RNA) where: Base-Base interactions energy: -607.922 where: short stacking energy: -251.953 Base-Backbone interact. energy: -0.395 local terms energy: -344.545651 where: bonds (distance) C4'-P energy: -75.622 bonds (distance) P-C4' energy: -82.623 flat angles C4'-P-C4' energy: -73.945 flat angles P-C4'-P energy: -53.947 tors. eta vs tors. theta energy: -58.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -788.166360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.166360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.166360 (E_RNA) where: Base-Base interactions energy: -501.942 where: short stacking energy: -232.724 Base-Backbone interact. energy: -1.522 local terms energy: -284.702194 where: bonds (distance) C4'-P energy: -72.959 bonds (distance) P-C4' energy: -70.025 flat angles C4'-P-C4' energy: -64.797 flat angles P-C4'-P energy: -31.635 tors. eta vs tors. theta energy: -45.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -541.372533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.372533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.372533 (E_RNA) where: Base-Base interactions energy: -312.288 where: short stacking energy: -171.522 Base-Backbone interact. energy: -1.254 local terms energy: -227.830614 where: bonds (distance) C4'-P energy: -70.354 bonds (distance) P-C4' energy: -74.154 flat angles C4'-P-C4' energy: -55.812 flat angles P-C4'-P energy: -19.880 tors. eta vs tors. theta energy: -7.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1601.552702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.552702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.552702 (E_RNA) where: Base-Base interactions energy: -1151.280 where: short stacking energy: -467.007 Base-Backbone interact. energy: 0.466 local terms energy: -450.738978 where: bonds (distance) C4'-P energy: -80.900 bonds (distance) P-C4' energy: -91.258 flat angles C4'-P-C4' energy: -92.930 flat angles P-C4'-P energy: -57.189 tors. eta vs tors. theta energy: -128.462 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: 8 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1481.109524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.109524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.109524 (E_RNA) where: Base-Base interactions energy: -1038.200 where: short stacking energy: -440.690 Base-Backbone interact. energy: -1.389 local terms energy: -441.520193 where: bonds (distance) C4'-P energy: -78.634 bonds (distance) P-C4' energy: -84.462 flat angles C4'-P-C4' energy: -94.663 flat angles P-C4'-P energy: -62.472 tors. eta vs tors. theta energy: -121.289 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: 2 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1468.856343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.856343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.856343 (E_RNA) where: Base-Base interactions energy: -1016.649 where: short stacking energy: -443.835 Base-Backbone interact. energy: 5.280 local terms energy: -457.487819 where: bonds (distance) C4'-P energy: -87.306 bonds (distance) P-C4' energy: -88.188 flat angles C4'-P-C4' energy: -92.878 flat angles P-C4'-P energy: -62.506 tors. eta vs tors. theta energy: -126.610 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: 4, replica: 10 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1400.153608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.153608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.153608 (E_RNA) where: Base-Base interactions energy: -974.991 where: short stacking energy: -436.856 Base-Backbone interact. energy: -0.342 local terms energy: -424.819787 where: bonds (distance) C4'-P energy: -79.590 bonds (distance) P-C4' energy: -77.760 flat angles C4'-P-C4' energy: -79.915 flat angles P-C4'-P energy: -63.760 tors. eta vs tors. theta energy: -123.794 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: 9 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1307.029045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.029045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.029045 (E_RNA) where: Base-Base interactions energy: -916.027 where: short stacking energy: -389.045 Base-Backbone interact. energy: -0.143 local terms energy: -390.859328 where: bonds (distance) C4'-P energy: -66.504 bonds (distance) P-C4' energy: -83.084 flat angles C4'-P-C4' energy: -82.099 flat angles P-C4'-P energy: -59.668 tors. eta vs tors. theta energy: -99.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1214.066306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.066306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.066306 (E_RNA) where: Base-Base interactions energy: -826.092 where: short stacking energy: -346.335 Base-Backbone interact. energy: -2.338 local terms energy: -385.636169 where: bonds (distance) C4'-P energy: -80.514 bonds (distance) P-C4' energy: -79.441 flat angles C4'-P-C4' energy: -89.995 flat angles P-C4'-P energy: -44.810 tors. eta vs tors. theta energy: -90.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1198.975252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.975252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.975252 (E_RNA) where: Base-Base interactions energy: -824.242 where: short stacking energy: -344.243 Base-Backbone interact. energy: -1.079 local terms energy: -373.653539 where: bonds (distance) C4'-P energy: -73.537 bonds (distance) P-C4' energy: -78.849 flat angles C4'-P-C4' energy: -78.724 flat angles P-C4'-P energy: -58.247 tors. eta vs tors. theta energy: -84.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -951.438551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.438551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.438551 (E_RNA) where: Base-Base interactions energy: -619.589 where: short stacking energy: -273.062 Base-Backbone interact. energy: -0.317 local terms energy: -331.531673 where: bonds (distance) C4'-P energy: -77.898 bonds (distance) P-C4' energy: -71.983 flat angles C4'-P-C4' energy: -82.939 flat angles P-C4'-P energy: -32.619 tors. eta vs tors. theta energy: -66.092 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: 5 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -818.854802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.854802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.854802 (E_RNA) where: Base-Base interactions energy: -515.733 where: short stacking energy: -233.832 Base-Backbone interact. energy: -2.413 local terms energy: -300.709410 where: bonds (distance) C4'-P energy: -66.653 bonds (distance) P-C4' energy: -72.345 flat angles C4'-P-C4' energy: -65.038 flat angles P-C4'-P energy: -53.736 tors. eta vs tors. theta energy: -42.938 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: 4 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -610.015812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.015812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.015812 (E_RNA) where: Base-Base interactions energy: -365.110 where: short stacking energy: -180.808 Base-Backbone interact. energy: -1.047 local terms energy: -243.858594 where: bonds (distance) C4'-P energy: -65.255 bonds (distance) P-C4' energy: -61.082 flat angles C4'-P-C4' energy: -68.907 flat angles P-C4'-P energy: -27.887 tors. eta vs tors. theta energy: -20.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1577.095693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.095693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.095693 (E_RNA) where: Base-Base interactions energy: -1125.938 where: short stacking energy: -450.375 Base-Backbone interact. energy: -0.843 local terms energy: -450.315018 where: bonds (distance) C4'-P energy: -77.489 bonds (distance) P-C4' energy: -89.544 flat angles C4'-P-C4' energy: -95.261 flat angles P-C4'-P energy: -63.835 tors. eta vs tors. theta energy: -124.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1488.800178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.800178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.800178 (E_RNA) where: Base-Base interactions energy: -1035.854 where: short stacking energy: -449.671 Base-Backbone interact. energy: -1.517 local terms energy: -451.428319 where: bonds (distance) C4'-P energy: -78.166 bonds (distance) P-C4' energy: -82.857 flat angles C4'-P-C4' energy: -96.424 flat angles P-C4'-P energy: -69.566 tors. eta vs tors. theta energy: -124.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1478.171900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.171900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.171900 (E_RNA) where: Base-Base interactions energy: -1027.862 where: short stacking energy: -452.230 Base-Backbone interact. energy: -1.447 local terms energy: -448.863649 where: bonds (distance) C4'-P energy: -74.424 bonds (distance) P-C4' energy: -82.327 flat angles C4'-P-C4' energy: -98.552 flat angles P-C4'-P energy: -63.883 tors. eta vs tors. theta energy: -129.678 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: 4, replica: 10 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1393.225088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.225088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.225088 (E_RNA) where: Base-Base interactions energy: -952.673 where: short stacking energy: -421.573 Base-Backbone interact. energy: -1.335 local terms energy: -439.217521 where: bonds (distance) C4'-P energy: -84.275 bonds (distance) P-C4' energy: -85.442 flat angles C4'-P-C4' energy: -90.159 flat angles P-C4'-P energy: -55.409 tors. eta vs tors. theta energy: -123.933 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: 9 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -1367.103525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.103525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.103525 (E_RNA) where: Base-Base interactions energy: -956.240 where: short stacking energy: -407.766 Base-Backbone interact. energy: -1.027 local terms energy: -409.835786 where: bonds (distance) C4'-P energy: -74.415 bonds (distance) P-C4' energy: -82.705 flat angles C4'-P-C4' energy: -88.035 flat angles P-C4'-P energy: -56.264 tors. eta vs tors. theta energy: -108.417 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: 1 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1217.555382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.555382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.555382 (E_RNA) where: Base-Base interactions energy: -840.140 where: short stacking energy: -344.216 Base-Backbone interact. energy: -3.078 local terms energy: -374.337477 where: bonds (distance) C4'-P energy: -71.035 bonds (distance) P-C4' energy: -79.706 flat angles C4'-P-C4' energy: -80.423 flat angles P-C4'-P energy: -53.714 tors. eta vs tors. theta energy: -89.460 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: 6 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1187.407135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.407135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.407135 (E_RNA) where: Base-Base interactions energy: -826.336 where: short stacking energy: -343.508 Base-Backbone interact. energy: -0.271 local terms energy: -360.800218 where: bonds (distance) C4'-P energy: -68.486 bonds (distance) P-C4' energy: -66.733 flat angles C4'-P-C4' energy: -90.291 flat angles P-C4'-P energy: -52.588 tors. eta vs tors. theta energy: -82.702 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: 406 Temperature: 1.250000 Total energy: -969.381701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.381701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.381701 (E_RNA) where: Base-Base interactions energy: -644.135 where: short stacking energy: -296.461 Base-Backbone interact. energy: -1.552 local terms energy: -323.694590 where: bonds (distance) C4'-P energy: -54.613 bonds (distance) P-C4' energy: -90.389 flat angles C4'-P-C4' energy: -72.023 flat angles P-C4'-P energy: -42.511 tors. eta vs tors. theta energy: -64.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -804.199510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.199510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.199510 (E_RNA) where: Base-Base interactions energy: -520.697 where: short stacking energy: -243.792 Base-Backbone interact. energy: -1.303 local terms energy: -282.199197 where: bonds (distance) C4'-P energy: -59.837 bonds (distance) P-C4' energy: -57.330 flat angles C4'-P-C4' energy: -72.705 flat angles P-C4'-P energy: -44.843 tors. eta vs tors. theta energy: -47.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -533.376755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.376755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.376755 (E_RNA) where: Base-Base interactions energy: -292.300 where: short stacking energy: -153.626 Base-Backbone interact. energy: -0.145 local terms energy: -240.931214 where: bonds (distance) C4'-P energy: -75.573 bonds (distance) P-C4' energy: -68.394 flat angles C4'-P-C4' energy: -67.815 flat angles P-C4'-P energy: -21.206 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: 3 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1579.279075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.279075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.279075 (E_RNA) where: Base-Base interactions energy: -1118.495 where: short stacking energy: -457.031 Base-Backbone interact. energy: -1.428 local terms energy: -459.356583 where: bonds (distance) C4'-P energy: -81.450 bonds (distance) P-C4' energy: -79.458 flat angles C4'-P-C4' energy: -98.439 flat angles P-C4'-P energy: -73.229 tors. eta vs tors. theta energy: -126.781 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: 8 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1500.194523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.194523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.194523 (E_RNA) where: Base-Base interactions energy: -1046.697 where: short stacking energy: -437.628 Base-Backbone interact. energy: 0.770 local terms energy: -454.267133 where: bonds (distance) C4'-P energy: -79.938 bonds (distance) P-C4' energy: -86.384 flat angles C4'-P-C4' energy: -101.614 flat angles P-C4'-P energy: -62.141 tors. eta vs tors. theta energy: -124.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1480.485815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.485815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.485815 (E_RNA) where: Base-Base interactions energy: -1023.100 where: short stacking energy: -440.133 Base-Backbone interact. energy: 0.761 local terms energy: -458.146285 where: bonds (distance) C4'-P energy: -86.904 bonds (distance) P-C4' energy: -84.675 flat angles C4'-P-C4' energy: -96.558 flat angles P-C4'-P energy: -56.196 tors. eta vs tors. theta energy: -133.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1323.155491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.155491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.155491 (E_RNA) where: Base-Base interactions energy: -925.270 where: short stacking energy: -394.529 Base-Backbone interact. energy: 6.626 local terms energy: -404.511080 where: bonds (distance) C4'-P energy: -75.314 bonds (distance) P-C4' energy: -86.063 flat angles C4'-P-C4' energy: -91.455 flat angles P-C4'-P energy: -56.009 tors. eta vs tors. theta energy: -95.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1346.527253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.527253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.527253 (E_RNA) where: Base-Base interactions energy: -935.066 where: short stacking energy: -400.711 Base-Backbone interact. energy: -2.601 local terms energy: -408.860632 where: bonds (distance) C4'-P energy: -77.921 bonds (distance) P-C4' energy: -78.296 flat angles C4'-P-C4' energy: -77.683 flat angles P-C4'-P energy: -55.534 tors. eta vs tors. theta energy: -119.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1203.529902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.529902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.529902 (E_RNA) where: Base-Base interactions energy: -838.676 where: short stacking energy: -343.010 Base-Backbone interact. energy: -0.417 local terms energy: -364.436499 where: bonds (distance) C4'-P energy: -70.724 bonds (distance) P-C4' energy: -80.876 flat angles C4'-P-C4' energy: -78.062 flat angles P-C4'-P energy: -52.371 tors. eta vs tors. theta energy: -82.402 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: 7, replica: 1 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1197.941887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.941887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.941887 (E_RNA) where: Base-Base interactions energy: -847.755 where: short stacking energy: -356.561 Base-Backbone interact. energy: -1.150 local terms energy: -349.037545 where: bonds (distance) C4'-P energy: -67.729 bonds (distance) P-C4' energy: -67.308 flat angles C4'-P-C4' energy: -69.318 flat angles P-C4'-P energy: -53.119 tors. eta vs tors. theta energy: -91.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -950.274674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.274674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.274674 (E_RNA) where: Base-Base interactions energy: -634.874 where: short stacking energy: -297.305 Base-Backbone interact. energy: -0.805 local terms energy: -314.595062 where: bonds (distance) C4'-P energy: -65.493 bonds (distance) P-C4' energy: -61.791 flat angles C4'-P-C4' energy: -81.718 flat angles P-C4'-P energy: -46.256 tors. eta vs tors. theta energy: -59.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -776.422604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.422604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.422604 (E_RNA) where: Base-Base interactions energy: -466.972 where: short stacking energy: -225.709 Base-Backbone interact. energy: 0.603 local terms energy: -310.052991 where: bonds (distance) C4'-P energy: -73.600 bonds (distance) P-C4' energy: -77.363 flat angles C4'-P-C4' energy: -69.520 flat angles P-C4'-P energy: -49.103 tors. eta vs tors. theta energy: -40.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -559.725335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.725335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.725335 (E_RNA) where: Base-Base interactions energy: -337.613 where: short stacking energy: -167.249 Base-Backbone interact. energy: -0.881 local terms energy: -221.231621 where: bonds (distance) C4'-P energy: -70.881 bonds (distance) P-C4' energy: -72.865 flat angles C4'-P-C4' energy: -38.830 flat angles P-C4'-P energy: -35.618 tors. eta vs tors. theta energy: -3.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1515.510059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.510059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.510059 (E_RNA) where: Base-Base interactions energy: -1053.952 where: short stacking energy: -455.502 Base-Backbone interact. energy: 2.580 local terms energy: -464.137459 where: bonds (distance) C4'-P energy: -83.547 bonds (distance) P-C4' energy: -91.737 flat angles C4'-P-C4' energy: -96.804 flat angles P-C4'-P energy: -70.112 tors. eta vs tors. theta energy: -121.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1546.676230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.676230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.676230 (E_RNA) where: Base-Base interactions energy: -1095.339 where: short stacking energy: -439.961 Base-Backbone interact. energy: -3.168 local terms energy: -448.169321 where: bonds (distance) C4'-P energy: -86.777 bonds (distance) P-C4' energy: -76.737 flat angles C4'-P-C4' energy: -93.134 flat angles P-C4'-P energy: -64.759 tors. eta vs tors. theta energy: -126.762 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: 2 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1436.624033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.624033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.624033 (E_RNA) where: Base-Base interactions energy: -1012.197 where: short stacking energy: -443.513 Base-Backbone interact. energy: -1.012 local terms energy: -423.414777 where: bonds (distance) C4'-P energy: -79.056 bonds (distance) P-C4' energy: -76.660 flat angles C4'-P-C4' energy: -89.836 flat angles P-C4'-P energy: -55.815 tors. eta vs tors. theta energy: -122.048 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: 9 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1370.530900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.530900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.530900 (E_RNA) where: Base-Base interactions energy: -947.832 where: short stacking energy: -420.868 Base-Backbone interact. energy: -2.282 local terms energy: -420.416351 where: bonds (distance) C4'-P energy: -86.181 bonds (distance) P-C4' energy: -74.525 flat angles C4'-P-C4' energy: -90.930 flat angles P-C4'-P energy: -62.770 tors. eta vs tors. theta energy: -106.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1373.059463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.059463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.059463 (E_RNA) where: Base-Base interactions energy: -953.986 where: short stacking energy: -418.607 Base-Backbone interact. energy: -2.197 local terms energy: -416.876233 where: bonds (distance) C4'-P energy: -71.046 bonds (distance) P-C4' energy: -79.754 flat angles C4'-P-C4' energy: -91.720 flat angles P-C4'-P energy: -54.187 tors. eta vs tors. theta energy: -120.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1192.553269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.553269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.553269 (E_RNA) where: Base-Base interactions energy: -810.498 where: short stacking energy: -340.146 Base-Backbone interact. energy: 3.797 local terms energy: -385.852989 where: bonds (distance) C4'-P energy: -80.098 bonds (distance) P-C4' energy: -80.573 flat angles C4'-P-C4' energy: -86.812 flat angles P-C4'-P energy: -57.543 tors. eta vs tors. theta energy: -80.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1203.477611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.477611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.477611 (E_RNA) where: Base-Base interactions energy: -826.070 where: short stacking energy: -334.501 Base-Backbone interact. energy: 1.749 local terms energy: -379.156637 where: bonds (distance) C4'-P energy: -82.563 bonds (distance) P-C4' energy: -69.951 flat angles C4'-P-C4' energy: -96.755 flat angles P-C4'-P energy: -50.900 tors. eta vs tors. theta energy: -78.988 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: 7 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -954.183154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.183154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.183154 (E_RNA) where: Base-Base interactions energy: -639.823 where: short stacking energy: -276.817 Base-Backbone interact. energy: 0.044 local terms energy: -314.403985 where: bonds (distance) C4'-P energy: -68.611 bonds (distance) P-C4' energy: -75.149 flat angles C4'-P-C4' energy: -75.947 flat angles P-C4'-P energy: -43.020 tors. eta vs tors. theta energy: -51.677 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: 5 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -737.968514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.968514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.968514 (E_RNA) where: Base-Base interactions energy: -460.713 where: short stacking energy: -228.228 Base-Backbone interact. energy: -0.259 local terms energy: -276.996682 where: bonds (distance) C4'-P energy: -65.888 bonds (distance) P-C4' energy: -79.862 flat angles C4'-P-C4' energy: -52.171 flat angles P-C4'-P energy: -40.191 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: 10, replica: 4 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -581.360062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.360062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.360062 (E_RNA) where: Base-Base interactions energy: -324.913 where: short stacking energy: -165.938 Base-Backbone interact. energy: 0.653 local terms energy: -257.099886 where: bonds (distance) C4'-P energy: -82.663 bonds (distance) P-C4' energy: -65.646 flat angles C4'-P-C4' energy: -65.994 flat angles P-C4'-P energy: -38.722 tors. eta vs tors. theta energy: -4.075 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: 8 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1517.979176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.979176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.979176 (E_RNA) where: Base-Base interactions energy: -1072.155 where: short stacking energy: -441.155 Base-Backbone interact. energy: 0.901 local terms energy: -446.724534 where: bonds (distance) C4'-P energy: -80.148 bonds (distance) P-C4' energy: -84.215 flat angles C4'-P-C4' energy: -90.705 flat angles P-C4'-P energy: -69.546 tors. eta vs tors. theta energy: -122.110 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: 3 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1552.932738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.932738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.932738 (E_RNA) where: Base-Base interactions energy: -1108.563 where: short stacking energy: -439.956 Base-Backbone interact. energy: -1.296 local terms energy: -443.073264 where: bonds (distance) C4'-P energy: -87.746 bonds (distance) P-C4' energy: -81.526 flat angles C4'-P-C4' energy: -90.736 flat angles P-C4'-P energy: -62.790 tors. eta vs tors. theta energy: -120.275 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: 2 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1479.883972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.883972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.883972 (E_RNA) where: Base-Base interactions energy: -1028.959 where: short stacking energy: -457.288 Base-Backbone interact. energy: -1.365 local terms energy: -449.559443 where: bonds (distance) C4'-P energy: -72.626 bonds (distance) P-C4' energy: -74.748 flat angles C4'-P-C4' energy: -94.739 flat angles P-C4'-P energy: -74.172 tors. eta vs tors. theta energy: -133.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1394.395794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.395794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.395794 (E_RNA) where: Base-Base interactions energy: -958.011 where: short stacking energy: -413.976 Base-Backbone interact. energy: -1.156 local terms energy: -435.229267 where: bonds (distance) C4'-P energy: -80.617 bonds (distance) P-C4' energy: -79.561 flat angles C4'-P-C4' energy: -90.362 flat angles P-C4'-P energy: -61.050 tors. eta vs tors. theta energy: -123.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1360.355602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.355602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.355602 (E_RNA) where: Base-Base interactions energy: -946.322 where: short stacking energy: -401.636 Base-Backbone interact. energy: -0.716 local terms energy: -413.317141 where: bonds (distance) C4'-P energy: -73.061 bonds (distance) P-C4' energy: -77.688 flat angles C4'-P-C4' energy: -86.627 flat angles P-C4'-P energy: -65.657 tors. eta vs tors. theta energy: -110.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1218.345491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.345491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.345491 (E_RNA) where: Base-Base interactions energy: -866.957 where: short stacking energy: -353.992 Base-Backbone interact. energy: -3.997 local terms energy: -347.391119 where: bonds (distance) C4'-P energy: -66.919 bonds (distance) P-C4' energy: -58.693 flat angles C4'-P-C4' energy: -78.152 flat angles P-C4'-P energy: -53.485 tors. eta vs tors. theta energy: -90.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1247.075615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.075615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.075615 (E_RNA) where: Base-Base interactions energy: -867.875 where: short stacking energy: -370.474 Base-Backbone interact. energy: 2.092 local terms energy: -381.292716 where: bonds (distance) C4'-P energy: -75.034 bonds (distance) P-C4' energy: -77.721 flat angles C4'-P-C4' energy: -89.564 flat angles P-C4'-P energy: -41.441 tors. eta vs tors. theta energy: -97.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1038.015681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.015681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.015681 (E_RNA) where: Base-Base interactions energy: -707.724 where: short stacking energy: -301.429 Base-Backbone interact. energy: -2.260 local terms energy: -328.031655 where: bonds (distance) C4'-P energy: -63.645 bonds (distance) P-C4' energy: -77.067 flat angles C4'-P-C4' energy: -72.644 flat angles P-C4'-P energy: -42.391 tors. eta vs tors. theta energy: -72.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -740.326278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.326278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.326278 (E_RNA) where: Base-Base interactions energy: -471.317 where: short stacking energy: -242.963 Base-Backbone interact. energy: -1.286 local terms energy: -267.722900 where: bonds (distance) C4'-P energy: -46.638 bonds (distance) P-C4' energy: -66.831 flat angles C4'-P-C4' energy: -64.651 flat angles P-C4'-P energy: -33.299 tors. eta vs tors. theta energy: -56.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -580.629658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.629658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.629658 (E_RNA) where: Base-Base interactions energy: -369.247 where: short stacking energy: -193.898 Base-Backbone interact. energy: 0.699 local terms energy: -212.081295 where: bonds (distance) C4'-P energy: -57.090 bonds (distance) P-C4' energy: -50.487 flat angles C4'-P-C4' energy: -60.524 flat angles P-C4'-P energy: -31.865 tors. eta vs tors. theta energy: -12.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1569.771266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.771266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.771266 (E_RNA) where: Base-Base interactions energy: -1108.082 where: short stacking energy: -454.147 Base-Backbone interact. energy: -3.203 local terms energy: -458.486362 where: bonds (distance) C4'-P energy: -84.389 bonds (distance) P-C4' energy: -90.581 flat angles C4'-P-C4' energy: -96.812 flat angles P-C4'-P energy: -58.300 tors. eta vs tors. theta energy: -128.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1495.039639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.039639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.039639 (E_RNA) where: Base-Base interactions energy: -1056.909 where: short stacking energy: -449.306 Base-Backbone interact. energy: 4.326 local terms energy: -442.457394 where: bonds (distance) C4'-P energy: -81.208 bonds (distance) P-C4' energy: -76.231 flat angles C4'-P-C4' energy: -98.738 flat angles P-C4'-P energy: -62.495 tors. eta vs tors. theta energy: -123.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1437.515095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.515095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.515095 (E_RNA) where: Base-Base interactions energy: -1006.057 where: short stacking energy: -433.247 Base-Backbone interact. energy: -0.313 local terms energy: -431.145448 where: bonds (distance) C4'-P energy: -75.007 bonds (distance) P-C4' energy: -72.971 flat angles C4'-P-C4' energy: -92.447 flat angles P-C4'-P energy: -64.911 tors. eta vs tors. theta energy: -125.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1374.211280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.211280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.211280 (E_RNA) where: Base-Base interactions energy: -960.881 where: short stacking energy: -405.876 Base-Backbone interact. energy: -0.071 local terms energy: -413.259779 where: bonds (distance) C4'-P energy: -68.467 bonds (distance) P-C4' energy: -79.984 flat angles C4'-P-C4' energy: -88.783 flat angles P-C4'-P energy: -52.980 tors. eta vs tors. theta energy: -123.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1332.038362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.038362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.038362 (E_RNA) where: Base-Base interactions energy: -918.102 where: short stacking energy: -401.274 Base-Backbone interact. energy: 1.016 local terms energy: -414.951863 where: bonds (distance) C4'-P energy: -76.306 bonds (distance) P-C4' energy: -73.534 flat angles C4'-P-C4' energy: -87.991 flat angles P-C4'-P energy: -61.323 tors. eta vs tors. theta energy: -115.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1259.939707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.939707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.939707 (E_RNA) where: Base-Base interactions energy: -884.612 where: short stacking energy: -379.116 Base-Backbone interact. energy: 0.825 local terms energy: -376.152222 where: bonds (distance) C4'-P energy: -58.273 bonds (distance) P-C4' energy: -76.053 flat angles C4'-P-C4' energy: -79.319 flat angles P-C4'-P energy: -60.412 tors. eta vs tors. theta energy: -102.096 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: 1 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1197.457784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.457784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.457784 (E_RNA) where: Base-Base interactions energy: -848.833 where: short stacking energy: -350.937 Base-Backbone interact. energy: -2.206 local terms energy: -346.419243 where: bonds (distance) C4'-P energy: -66.490 bonds (distance) P-C4' energy: -59.171 flat angles C4'-P-C4' energy: -78.197 flat angles P-C4'-P energy: -54.024 tors. eta vs tors. theta energy: -88.537 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: 7 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1034.914278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.914278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.914278 (E_RNA) where: Base-Base interactions energy: -694.372 where: short stacking energy: -292.128 Base-Backbone interact. energy: -1.699 local terms energy: -338.843295 where: bonds (distance) C4'-P energy: -71.228 bonds (distance) P-C4' energy: -77.832 flat angles C4'-P-C4' energy: -72.465 flat angles P-C4'-P energy: -47.835 tors. eta vs tors. theta energy: -69.483 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: 5 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -754.228785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.228785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.228785 (E_RNA) where: Base-Base interactions energy: -467.973 where: short stacking energy: -252.347 Base-Backbone interact. energy: 3.297 local terms energy: -289.553387 where: bonds (distance) C4'-P energy: -70.043 bonds (distance) P-C4' energy: -56.613 flat angles C4'-P-C4' energy: -78.374 flat angles P-C4'-P energy: -40.231 tors. eta vs tors. theta energy: -44.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -606.484665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.484665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.484665 (E_RNA) where: Base-Base interactions energy: -352.616 where: short stacking energy: -173.728 Base-Backbone interact. energy: -2.243 local terms energy: -251.625185 where: bonds (distance) C4'-P energy: -68.316 bonds (distance) P-C4' energy: -78.255 flat angles C4'-P-C4' energy: -54.970 flat angles P-C4'-P energy: -36.194 tors. eta vs tors. theta energy: -13.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1564.934427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.934427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.934427 (E_RNA) where: Base-Base interactions energy: -1104.678 where: short stacking energy: -453.574 Base-Backbone interact. energy: -3.112 local terms energy: -457.145231 where: bonds (distance) C4'-P energy: -86.966 bonds (distance) P-C4' energy: -81.297 flat angles C4'-P-C4' energy: -94.554 flat angles P-C4'-P energy: -66.882 tors. eta vs tors. theta energy: -127.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1502.782399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.782399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.782399 (E_RNA) where: Base-Base interactions energy: -1066.709 where: short stacking energy: -459.829 Base-Backbone interact. energy: -0.577 local terms energy: -435.496688 where: bonds (distance) C4'-P energy: -64.815 bonds (distance) P-C4' energy: -82.032 flat angles C4'-P-C4' energy: -103.732 flat angles P-C4'-P energy: -58.318 tors. eta vs tors. theta energy: -126.601 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: 2 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1484.076283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.076283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.076283 (E_RNA) where: Base-Base interactions energy: -1027.423 where: short stacking energy: -456.260 Base-Backbone interact. energy: -2.017 local terms energy: -454.635964 where: bonds (distance) C4'-P energy: -83.328 bonds (distance) P-C4' energy: -77.375 flat angles C4'-P-C4' energy: -96.444 flat angles P-C4'-P energy: -69.286 tors. eta vs tors. theta energy: -128.202 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: 4, replica: 10 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1345.717310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.717310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.717310 (E_RNA) where: Base-Base interactions energy: -935.390 where: short stacking energy: -417.927 Base-Backbone interact. energy: -3.224 local terms energy: -407.103055 where: bonds (distance) C4'-P energy: -70.436 bonds (distance) P-C4' energy: -80.063 flat angles C4'-P-C4' energy: -89.599 flat angles P-C4'-P energy: -57.375 tors. eta vs tors. theta energy: -109.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1315.073608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.073608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.073608 (E_RNA) where: Base-Base interactions energy: -930.141 where: short stacking energy: -393.891 Base-Backbone interact. energy: -1.403 local terms energy: -383.529477 where: bonds (distance) C4'-P energy: -84.555 bonds (distance) P-C4' energy: -69.945 flat angles C4'-P-C4' energy: -86.538 flat angles P-C4'-P energy: -46.609 tors. eta vs tors. theta energy: -95.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1248.136450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.136450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.136450 (E_RNA) where: Base-Base interactions energy: -881.079 where: short stacking energy: -382.630 Base-Backbone interact. energy: -3.966 local terms energy: -363.091755 where: bonds (distance) C4'-P energy: -67.662 bonds (distance) P-C4' energy: -54.465 flat angles C4'-P-C4' energy: -84.544 flat angles P-C4'-P energy: -55.777 tors. eta vs tors. theta energy: -100.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1169.470377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.470377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.470377 (E_RNA) where: Base-Base interactions energy: -810.471 where: short stacking energy: -332.594 Base-Backbone interact. energy: 1.584 local terms energy: -360.583278 where: bonds (distance) C4'-P energy: -62.630 bonds (distance) P-C4' energy: -82.787 flat angles C4'-P-C4' energy: -78.195 flat angles P-C4'-P energy: -51.073 tors. eta vs tors. theta energy: -85.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1034.343532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.343532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.343532 (E_RNA) where: Base-Base interactions energy: -700.999 where: short stacking energy: -307.887 Base-Backbone interact. energy: -0.984 local terms energy: -332.360415 where: bonds (distance) C4'-P energy: -51.986 bonds (distance) P-C4' energy: -75.000 flat angles C4'-P-C4' energy: -75.203 flat angles P-C4'-P energy: -53.669 tors. eta vs tors. theta energy: -76.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -753.926731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.926731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.926731 (E_RNA) where: Base-Base interactions energy: -469.375 where: short stacking energy: -235.852 Base-Backbone interact. energy: -1.687 local terms energy: -282.865005 where: bonds (distance) C4'-P energy: -64.860 bonds (distance) P-C4' energy: -76.890 flat angles C4'-P-C4' energy: -61.105 flat angles P-C4'-P energy: -43.528 tors. eta vs tors. theta energy: -36.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -589.508646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.508646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.508646 (E_RNA) where: Base-Base interactions energy: -331.400 where: short stacking energy: -175.478 Base-Backbone interact. energy: -1.491 local terms energy: -256.617982 where: bonds (distance) C4'-P energy: -67.249 bonds (distance) P-C4' energy: -71.476 flat angles C4'-P-C4' energy: -71.348 flat angles P-C4'-P energy: -33.002 tors. eta vs tors. theta energy: -13.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1560.475126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.475126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.475126 (E_RNA) where: Base-Base interactions energy: -1123.164 where: short stacking energy: -456.701 Base-Backbone interact. energy: -0.014 local terms energy: -437.297002 where: bonds (distance) C4'-P energy: -82.922 bonds (distance) P-C4' energy: -75.608 flat angles C4'-P-C4' energy: -89.301 flat angles P-C4'-P energy: -65.885 tors. eta vs tors. theta energy: -123.581 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: 8 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1497.708024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.708024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.708024 (E_RNA) where: Base-Base interactions energy: -1051.023 where: short stacking energy: -464.676 Base-Backbone interact. energy: -0.062 local terms energy: -446.622551 where: bonds (distance) C4'-P energy: -82.792 bonds (distance) P-C4' energy: -92.654 flat angles C4'-P-C4' energy: -88.045 flat angles P-C4'-P energy: -54.067 tors. eta vs tors. theta energy: -129.065 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: 2 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1452.169077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.169077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.169077 (E_RNA) where: Base-Base interactions energy: -990.673 where: short stacking energy: -436.086 Base-Backbone interact. energy: -0.497 local terms energy: -460.999012 where: bonds (distance) C4'-P energy: -86.822 bonds (distance) P-C4' energy: -80.990 flat angles C4'-P-C4' energy: -99.001 flat angles P-C4'-P energy: -65.817 tors. eta vs tors. theta energy: -128.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -1409.643412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.643412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.643412 (E_RNA) where: Base-Base interactions energy: -971.883 where: short stacking energy: -419.789 Base-Backbone interact. energy: -1.308 local terms energy: -436.452684 where: bonds (distance) C4'-P energy: -83.310 bonds (distance) P-C4' energy: -84.639 flat angles C4'-P-C4' energy: -82.567 flat angles P-C4'-P energy: -60.431 tors. eta vs tors. theta energy: -125.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -1306.659295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.659295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.659295 (E_RNA) where: Base-Base interactions energy: -914.539 where: short stacking energy: -389.074 Base-Backbone interact. energy: -1.997 local terms energy: -390.123663 where: bonds (distance) C4'-P energy: -76.825 bonds (distance) P-C4' energy: -64.350 flat angles C4'-P-C4' energy: -86.879 flat angles P-C4'-P energy: -57.510 tors. eta vs tors. theta energy: -104.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1313.413643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.413643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.413643 (E_RNA) where: Base-Base interactions energy: -904.343 where: short stacking energy: -412.839 Base-Backbone interact. energy: -1.025 local terms energy: -408.046209 where: bonds (distance) C4'-P energy: -73.390 bonds (distance) P-C4' energy: -72.437 flat angles C4'-P-C4' energy: -91.667 flat angles P-C4'-P energy: -58.627 tors. eta vs tors. theta energy: -111.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1193.843252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.843252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.843252 (E_RNA) where: Base-Base interactions energy: -861.460 where: short stacking energy: -352.756 Base-Backbone interact. energy: -1.509 local terms energy: -330.874917 where: bonds (distance) C4'-P energy: -64.218 bonds (distance) P-C4' energy: -53.327 flat angles C4'-P-C4' energy: -81.593 flat angles P-C4'-P energy: -44.419 tors. eta vs tors. theta energy: -87.318 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: 7 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1069.649359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.649359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.649359 (E_RNA) where: Base-Base interactions energy: -718.543 where: short stacking energy: -311.586 Base-Backbone interact. energy: -0.439 local terms energy: -350.666971 where: bonds (distance) C4'-P energy: -60.549 bonds (distance) P-C4' energy: -77.106 flat angles C4'-P-C4' energy: -79.555 flat angles P-C4'-P energy: -52.559 tors. eta vs tors. theta energy: -80.898 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: 5 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -759.586801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.586801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.586801 (E_RNA) where: Base-Base interactions energy: -502.684 where: short stacking energy: -228.112 Base-Backbone interact. energy: 4.223 local terms energy: -261.125036 where: bonds (distance) C4'-P energy: -65.578 bonds (distance) P-C4' energy: -65.492 flat angles C4'-P-C4' energy: -64.378 flat angles P-C4'-P energy: -43.915 tors. eta vs tors. theta energy: -21.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -608.385283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.385283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.385283 (E_RNA) where: Base-Base interactions energy: -349.548 where: short stacking energy: -185.152 Base-Backbone interact. energy: -2.488 local terms energy: -256.348969 where: bonds (distance) C4'-P energy: -63.840 bonds (distance) P-C4' energy: -67.787 flat angles C4'-P-C4' energy: -52.538 flat angles P-C4'-P energy: -43.855 tors. eta vs tors. theta energy: -28.328 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: 3 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1586.066491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.066491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.066491 (E_RNA) where: Base-Base interactions energy: -1144.355 where: short stacking energy: -461.683 Base-Backbone interact. energy: 1.290 local terms energy: -443.001310 where: bonds (distance) C4'-P energy: -82.847 bonds (distance) P-C4' energy: -83.546 flat angles C4'-P-C4' energy: -85.272 flat angles P-C4'-P energy: -62.850 tors. eta vs tors. theta energy: -128.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1501.790158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.790158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.790158 (E_RNA) where: Base-Base interactions energy: -1040.980 where: short stacking energy: -443.848 Base-Backbone interact. energy: -1.561 local terms energy: -459.249756 where: bonds (distance) C4'-P energy: -84.136 bonds (distance) P-C4' energy: -83.046 flat angles C4'-P-C4' energy: -98.558 flat angles P-C4'-P energy: -68.673 tors. eta vs tors. theta energy: -124.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1428.653268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.653268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.653268 (E_RNA) where: Base-Base interactions energy: -993.277 where: short stacking energy: -424.688 Base-Backbone interact. energy: -0.227 local terms energy: -435.150072 where: bonds (distance) C4'-P energy: -71.512 bonds (distance) P-C4' energy: -85.964 flat angles C4'-P-C4' energy: -97.043 flat angles P-C4'-P energy: -66.936 tors. eta vs tors. theta energy: -113.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1398.215178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.215178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.215178 (E_RNA) where: Base-Base interactions energy: -965.642 where: short stacking energy: -421.162 Base-Backbone interact. energy: 0.000 local terms energy: -432.573410 where: bonds (distance) C4'-P energy: -64.580 bonds (distance) P-C4' energy: -83.131 flat angles C4'-P-C4' energy: -96.139 flat angles P-C4'-P energy: -63.137 tors. eta vs tors. theta energy: -125.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1305.920496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.920496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.920496 (E_RNA) where: Base-Base interactions energy: -900.257 where: short stacking energy: -382.361 Base-Backbone interact. energy: 0.082 local terms energy: -405.745949 where: bonds (distance) C4'-P energy: -80.543 bonds (distance) P-C4' energy: -80.965 flat angles C4'-P-C4' energy: -86.494 flat angles P-C4'-P energy: -54.360 tors. eta vs tors. theta energy: -103.384 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: 9 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1283.773997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.773997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.773997 (E_RNA) where: Base-Base interactions energy: -879.141 where: short stacking energy: -376.227 Base-Backbone interact. energy: -0.059 local terms energy: -404.573551 where: bonds (distance) C4'-P energy: -77.212 bonds (distance) P-C4' energy: -82.772 flat angles C4'-P-C4' energy: -88.939 flat angles P-C4'-P energy: -55.749 tors. eta vs tors. theta energy: -99.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1169.403325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.403325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.403325 (E_RNA) where: Base-Base interactions energy: -801.773 where: short stacking energy: -354.548 Base-Backbone interact. energy: 0.117 local terms energy: -367.747745 where: bonds (distance) C4'-P energy: -72.828 bonds (distance) P-C4' energy: -80.302 flat angles C4'-P-C4' energy: -82.075 flat angles P-C4'-P energy: -55.627 tors. eta vs tors. theta energy: -76.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1077.652410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.652410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.652410 (E_RNA) where: Base-Base interactions energy: -725.254 where: short stacking energy: -310.387 Base-Backbone interact. energy: 1.872 local terms energy: -354.270296 where: bonds (distance) C4'-P energy: -75.854 bonds (distance) P-C4' energy: -78.820 flat angles C4'-P-C4' energy: -79.552 flat angles P-C4'-P energy: -42.700 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: 9, replica: 5 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -773.151270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.151270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.151270 (E_RNA) where: Base-Base interactions energy: -476.437 where: short stacking energy: -224.808 Base-Backbone interact. energy: -1.199 local terms energy: -295.515537 where: bonds (distance) C4'-P energy: -71.401 bonds (distance) P-C4' energy: -65.491 flat angles C4'-P-C4' energy: -82.063 flat angles P-C4'-P energy: -41.575 tors. eta vs tors. theta energy: -34.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -629.619655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.619655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.619655 (E_RNA) where: Base-Base interactions energy: -349.422 where: short stacking energy: -168.287 Base-Backbone interact. energy: -2.559 local terms energy: -277.637968 where: bonds (distance) C4'-P energy: -64.917 bonds (distance) P-C4' energy: -77.238 flat angles C4'-P-C4' energy: -66.038 flat angles P-C4'-P energy: -42.331 tors. eta vs tors. theta energy: -27.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1586.877959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.877959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.877959 (E_RNA) where: Base-Base interactions energy: -1111.864 where: short stacking energy: -450.142 Base-Backbone interact. energy: -3.289 local terms energy: -471.724294 where: bonds (distance) C4'-P energy: -86.560 bonds (distance) P-C4' energy: -86.046 flat angles C4'-P-C4' energy: -99.505 flat angles P-C4'-P energy: -68.079 tors. eta vs tors. theta energy: -131.535 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: 2, replica: 8 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1477.837085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.837085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.837085 (E_RNA) where: Base-Base interactions energy: -1043.928 where: short stacking energy: -442.518 Base-Backbone interact. energy: -0.083 local terms energy: -433.825229 where: bonds (distance) C4'-P energy: -85.761 bonds (distance) P-C4' energy: -77.095 flat angles C4'-P-C4' energy: -92.757 flat angles P-C4'-P energy: -54.877 tors. eta vs tors. theta energy: -123.336 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: 3, replica: 2 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1447.942453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.942453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.942453 (E_RNA) where: Base-Base interactions energy: -993.133 where: short stacking energy: -443.016 Base-Backbone interact. energy: -1.239 local terms energy: -453.570940 where: bonds (distance) C4'-P energy: -82.936 bonds (distance) P-C4' energy: -86.196 flat angles C4'-P-C4' energy: -95.920 flat angles P-C4'-P energy: -57.332 tors. eta vs tors. theta energy: -131.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1366.116569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.116569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.116569 (E_RNA) where: Base-Base interactions energy: -938.353 where: short stacking energy: -418.465 Base-Backbone interact. energy: 1.310 local terms energy: -429.073656 where: bonds (distance) C4'-P energy: -83.916 bonds (distance) P-C4' energy: -82.701 flat angles C4'-P-C4' energy: -83.191 flat angles P-C4'-P energy: -60.658 tors. eta vs tors. theta energy: -118.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -1317.802758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.802758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.802758 (E_RNA) where: Base-Base interactions energy: -901.570 where: short stacking energy: -388.443 Base-Backbone interact. energy: 0.710 local terms energy: -416.942908 where: bonds (distance) C4'-P energy: -66.416 bonds (distance) P-C4' energy: -83.616 flat angles C4'-P-C4' energy: -94.895 flat angles P-C4'-P energy: -65.904 tors. eta vs tors. theta energy: -106.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1229.478954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.478954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.478954 (E_RNA) where: Base-Base interactions energy: -858.361 where: short stacking energy: -352.413 Base-Backbone interact. energy: -1.893 local terms energy: -369.224207 where: bonds (distance) C4'-P energy: -75.566 bonds (distance) P-C4' energy: -79.262 flat angles C4'-P-C4' energy: -83.496 flat angles P-C4'-P energy: -55.690 tors. eta vs tors. theta energy: -75.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1204.514974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.514974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.514974 (E_RNA) where: Base-Base interactions energy: -822.001 where: short stacking energy: -346.719 Base-Backbone interact. energy: -0.968 local terms energy: -381.546112 where: bonds (distance) C4'-P energy: -78.441 bonds (distance) P-C4' energy: -79.496 flat angles C4'-P-C4' energy: -85.359 flat angles P-C4'-P energy: -46.401 tors. eta vs tors. theta energy: -91.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1083.979486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.979486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.979486 (E_RNA) where: Base-Base interactions energy: -733.471 where: short stacking energy: -306.102 Base-Backbone interact. energy: -1.362 local terms energy: -349.146660 where: bonds (distance) C4'-P energy: -78.500 bonds (distance) P-C4' energy: -74.230 flat angles C4'-P-C4' energy: -79.454 flat angles P-C4'-P energy: -40.950 tors. eta vs tors. theta energy: -76.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -718.336195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.336195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.336195 (E_RNA) where: Base-Base interactions energy: -451.544 where: short stacking energy: -201.450 Base-Backbone interact. energy: 1.530 local terms energy: -268.322009 where: bonds (distance) C4'-P energy: -76.447 bonds (distance) P-C4' energy: -44.372 flat angles C4'-P-C4' energy: -66.246 flat angles P-C4'-P energy: -42.199 tors. eta vs tors. theta energy: -39.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -611.533617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.533617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.533617 (E_RNA) where: Base-Base interactions energy: -365.381 where: short stacking energy: -173.291 Base-Backbone interact. energy: -2.120 local terms energy: -244.033121 where: bonds (distance) C4'-P energy: -57.727 bonds (distance) P-C4' energy: -71.834 flat angles C4'-P-C4' energy: -61.925 flat angles P-C4'-P energy: -39.901 tors. eta vs tors. theta energy: -12.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1582.987225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.987225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.987225 (E_RNA) where: Base-Base interactions energy: -1130.982 where: short stacking energy: -448.738 Base-Backbone interact. energy: -1.461 local terms energy: -450.544252 where: bonds (distance) C4'-P energy: -75.106 bonds (distance) P-C4' energy: -80.135 flat angles C4'-P-C4' energy: -102.222 flat angles P-C4'-P energy: -63.884 tors. eta vs tors. theta energy: -129.197 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: 2 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1502.494058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.494058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.494058 (E_RNA) where: Base-Base interactions energy: -1022.169 where: short stacking energy: -457.917 Base-Backbone interact. energy: -0.710 local terms energy: -479.614343 where: bonds (distance) C4'-P energy: -89.827 bonds (distance) P-C4' energy: -85.203 flat angles C4'-P-C4' energy: -106.090 flat angles P-C4'-P energy: -68.897 tors. eta vs tors. theta energy: -129.597 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: 3, replica: 8 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1452.518481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.518481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.518481 (E_RNA) where: Base-Base interactions energy: -1027.405 where: short stacking energy: -440.800 Base-Backbone interact. energy: -1.722 local terms energy: -423.390735 where: bonds (distance) C4'-P energy: -75.700 bonds (distance) P-C4' energy: -75.209 flat angles C4'-P-C4' energy: -89.897 flat angles P-C4'-P energy: -63.158 tors. eta vs tors. theta energy: -119.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1359.107050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.107050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.107050 (E_RNA) where: Base-Base interactions energy: -943.037 where: short stacking energy: -414.106 Base-Backbone interact. energy: -0.656 local terms energy: -415.413499 where: bonds (distance) C4'-P energy: -81.501 bonds (distance) P-C4' energy: -64.247 flat angles C4'-P-C4' energy: -93.236 flat angles P-C4'-P energy: -59.942 tors. eta vs tors. theta energy: -116.488 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: 9 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -1311.352325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.352325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.352325 (E_RNA) where: Base-Base interactions energy: -910.159 where: short stacking energy: -391.947 Base-Backbone interact. energy: 0.302 local terms energy: -401.495419 where: bonds (distance) C4'-P energy: -73.689 bonds (distance) P-C4' energy: -77.904 flat angles C4'-P-C4' energy: -102.701 flat angles P-C4'-P energy: -51.386 tors. eta vs tors. theta energy: -95.816 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: 1 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1301.525281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.525281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.525281 (E_RNA) where: Base-Base interactions energy: -921.227 where: short stacking energy: -378.645 Base-Backbone interact. energy: -3.627 local terms energy: -376.671294 where: bonds (distance) C4'-P energy: -68.353 bonds (distance) P-C4' energy: -81.848 flat angles C4'-P-C4' energy: -76.761 flat angles P-C4'-P energy: -50.010 tors. eta vs tors. theta energy: -99.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1178.273155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.273155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.273155 (E_RNA) where: Base-Base interactions energy: -823.045 where: short stacking energy: -342.788 Base-Backbone interact. energy: -1.821 local terms energy: -353.407480 where: bonds (distance) C4'-P energy: -70.836 bonds (distance) P-C4' energy: -65.061 flat angles C4'-P-C4' energy: -91.246 flat angles P-C4'-P energy: -46.461 tors. eta vs tors. theta energy: -79.803 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: 8, replica: 7 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1127.139405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.139405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.139405 (E_RNA) where: Base-Base interactions energy: -752.358 where: short stacking energy: -313.837 Base-Backbone interact. energy: -4.377 local terms energy: -370.403901 where: bonds (distance) C4'-P energy: -69.611 bonds (distance) P-C4' energy: -81.095 flat angles C4'-P-C4' energy: -89.670 flat angles P-C4'-P energy: -49.335 tors. eta vs tors. theta energy: -80.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -774.295132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.295132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.295132 (E_RNA) where: Base-Base interactions energy: -507.816 where: short stacking energy: -241.948 Base-Backbone interact. energy: 2.639 local terms energy: -269.118122 where: bonds (distance) C4'-P energy: -46.994 bonds (distance) P-C4' energy: -69.365 flat angles C4'-P-C4' energy: -58.079 flat angles P-C4'-P energy: -52.435 tors. eta vs tors. theta energy: -42.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -608.545035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.545035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.545035 (E_RNA) where: Base-Base interactions energy: -332.670 where: short stacking energy: -178.263 Base-Backbone interact. energy: -1.785 local terms energy: -274.090166 where: bonds (distance) C4'-P energy: -69.010 bonds (distance) P-C4' energy: -74.062 flat angles C4'-P-C4' energy: -83.299 flat angles P-C4'-P energy: -30.728 tors. eta vs tors. theta energy: -16.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1572.352407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.352407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.352407 (E_RNA) where: Base-Base interactions energy: -1109.400 where: short stacking energy: -446.700 Base-Backbone interact. energy: -2.866 local terms energy: -460.086635 where: bonds (distance) C4'-P energy: -84.591 bonds (distance) P-C4' energy: -81.734 flat angles C4'-P-C4' energy: -101.272 flat angles P-C4'-P energy: -61.606 tors. eta vs tors. theta energy: -130.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1497.719382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.719382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.719382 (E_RNA) where: Base-Base interactions energy: -1039.045 where: short stacking energy: -453.502 Base-Backbone interact. energy: -0.204 local terms energy: -458.470047 where: bonds (distance) C4'-P energy: -80.182 bonds (distance) P-C4' energy: -89.381 flat angles C4'-P-C4' energy: -93.595 flat angles P-C4'-P energy: -67.935 tors. eta vs tors. theta energy: -127.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1434.261317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.261317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.261317 (E_RNA) where: Base-Base interactions energy: -1005.115 where: short stacking energy: -425.844 Base-Backbone interact. energy: 0.055 local terms energy: -429.201288 where: bonds (distance) C4'-P energy: -78.832 bonds (distance) P-C4' energy: -80.823 flat angles C4'-P-C4' energy: -90.292 flat angles P-C4'-P energy: -61.831 tors. eta vs tors. theta energy: -117.423 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: 10 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -1365.988290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.988290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.988290 (E_RNA) where: Base-Base interactions energy: -937.136 where: short stacking energy: -408.810 Base-Backbone interact. energy: -1.333 local terms energy: -427.519904 where: bonds (distance) C4'-P energy: -80.295 bonds (distance) P-C4' energy: -80.108 flat angles C4'-P-C4' energy: -79.425 flat angles P-C4'-P energy: -64.865 tors. eta vs tors. theta energy: -122.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -1378.241421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.241421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.241421 (E_RNA) where: Base-Base interactions energy: -990.325 where: short stacking energy: -411.392 Base-Backbone interact. energy: -2.424 local terms energy: -385.492178 where: bonds (distance) C4'-P energy: -73.265 bonds (distance) P-C4' energy: -73.284 flat angles C4'-P-C4' energy: -82.847 flat angles P-C4'-P energy: -51.362 tors. eta vs tors. theta energy: -104.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1209.746316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.746316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.746316 (E_RNA) where: Base-Base interactions energy: -854.215 where: short stacking energy: -365.820 Base-Backbone interact. energy: 0.508 local terms energy: -356.039414 where: bonds (distance) C4'-P energy: -70.558 bonds (distance) P-C4' energy: -60.704 flat angles C4'-P-C4' energy: -90.429 flat angles P-C4'-P energy: -43.048 tors. eta vs tors. theta energy: -91.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1122.653569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.653569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.653569 (E_RNA) where: Base-Base interactions energy: -744.610 where: short stacking energy: -314.577 Base-Backbone interact. energy: -0.317 local terms energy: -377.726106 where: bonds (distance) C4'-P energy: -80.545 bonds (distance) P-C4' energy: -66.668 flat angles C4'-P-C4' energy: -86.181 flat angles P-C4'-P energy: -56.191 tors. eta vs tors. theta energy: -88.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1131.494173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.494173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.494173 (E_RNA) where: Base-Base interactions energy: -751.040 where: short stacking energy: -331.057 Base-Backbone interact. energy: -0.721 local terms energy: -379.733383 where: bonds (distance) C4'-P energy: -74.617 bonds (distance) P-C4' energy: -80.028 flat angles C4'-P-C4' energy: -87.317 flat angles P-C4'-P energy: -49.485 tors. eta vs tors. theta energy: -88.286 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: 5 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -791.035490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.035490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.035490 (E_RNA) where: Base-Base interactions energy: -464.539 where: short stacking energy: -235.375 Base-Backbone interact. energy: -1.861 local terms energy: -324.634972 where: bonds (distance) C4'-P energy: -73.263 bonds (distance) P-C4' energy: -86.675 flat angles C4'-P-C4' energy: -71.834 flat angles P-C4'-P energy: -41.934 tors. eta vs tors. theta energy: -50.929 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: 4 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -599.705953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.705953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.705953 (E_RNA) where: Base-Base interactions energy: -345.908 where: short stacking energy: -187.185 Base-Backbone interact. energy: -0.347 local terms energy: -253.451284 where: bonds (distance) C4'-P energy: -75.767 bonds (distance) P-C4' energy: -73.471 flat angles C4'-P-C4' energy: -64.535 flat angles P-C4'-P energy: -28.542 tors. eta vs tors. theta energy: -11.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1573.220933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.220933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.220933 (E_RNA) where: Base-Base interactions energy: -1118.743 where: short stacking energy: -451.437 Base-Backbone interact. energy: -1.191 local terms energy: -453.286842 where: bonds (distance) C4'-P energy: -73.885 bonds (distance) P-C4' energy: -88.529 flat angles C4'-P-C4' energy: -104.333 flat angles P-C4'-P energy: -63.191 tors. eta vs tors. theta energy: -123.349 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: 2 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1504.162736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.162736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.162736 (E_RNA) where: Base-Base interactions energy: -1040.350 where: short stacking energy: -462.119 Base-Backbone interact. energy: -0.234 local terms energy: -463.578115 where: bonds (distance) C4'-P energy: -86.208 bonds (distance) P-C4' energy: -85.317 flat angles C4'-P-C4' energy: -94.158 flat angles P-C4'-P energy: -68.973 tors. eta vs tors. theta energy: -128.923 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: 8 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1441.651925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.651925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.651925 (E_RNA) where: Base-Base interactions energy: -1024.135 where: short stacking energy: -414.944 Base-Backbone interact. energy: -1.704 local terms energy: -415.812369 where: bonds (distance) C4'-P energy: -75.036 bonds (distance) P-C4' energy: -88.459 flat angles C4'-P-C4' energy: -92.501 flat angles P-C4'-P energy: -55.407 tors. eta vs tors. theta energy: -104.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1446.971659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.971659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.971659 (E_RNA) where: Base-Base interactions energy: -1005.152 where: short stacking energy: -405.448 Base-Backbone interact. energy: -2.805 local terms energy: -439.014561 where: bonds (distance) C4'-P energy: -81.050 bonds (distance) P-C4' energy: -89.595 flat angles C4'-P-C4' energy: -99.171 flat angles P-C4'-P energy: -67.051 tors. eta vs tors. theta energy: -102.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1394.923699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.923699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.923699 (E_RNA) where: Base-Base interactions energy: -973.616 where: short stacking energy: -421.024 Base-Backbone interact. energy: -0.478 local terms energy: -420.829329 where: bonds (distance) C4'-P energy: -78.272 bonds (distance) P-C4' energy: -77.926 flat angles C4'-P-C4' energy: -86.953 flat angles P-C4'-P energy: -59.304 tors. eta vs tors. theta energy: -118.375 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: 9 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1237.665870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.665870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.665870 (E_RNA) where: Base-Base interactions energy: -835.643 where: short stacking energy: -367.092 Base-Backbone interact. energy: -0.857 local terms energy: -401.165740 where: bonds (distance) C4'-P energy: -84.099 bonds (distance) P-C4' energy: -70.568 flat angles C4'-P-C4' energy: -79.636 flat angles P-C4'-P energy: -55.163 tors. eta vs tors. theta energy: -111.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1140.257229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.257229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.257229 (E_RNA) where: Base-Base interactions energy: -778.976 where: short stacking energy: -356.954 Base-Backbone interact. energy: -1.652 local terms energy: -359.629597 where: bonds (distance) C4'-P energy: -62.332 bonds (distance) P-C4' energy: -57.160 flat angles C4'-P-C4' energy: -95.778 flat angles P-C4'-P energy: -55.555 tors. eta vs tors. theta energy: -88.804 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: 417 Temperature: 1.250000 Total energy: -1106.607505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.607505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.607505 (E_RNA) where: Base-Base interactions energy: -777.731 where: short stacking energy: -324.841 Base-Backbone interact. energy: -0.020 local terms energy: -328.856904 where: bonds (distance) C4'-P energy: -51.029 bonds (distance) P-C4' energy: -89.499 flat angles C4'-P-C4' energy: -65.513 flat angles P-C4'-P energy: -46.619 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: 9, replica: 5 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -756.959304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.959304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.959304 (E_RNA) where: Base-Base interactions energy: -455.191 where: short stacking energy: -220.169 Base-Backbone interact. energy: -1.970 local terms energy: -299.798774 where: bonds (distance) C4'-P energy: -69.627 bonds (distance) P-C4' energy: -75.143 flat angles C4'-P-C4' energy: -79.830 flat angles P-C4'-P energy: -35.358 tors. eta vs tors. theta energy: -39.840 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: 4 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -599.003079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.003079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.003079 (E_RNA) where: Base-Base interactions energy: -325.983 where: short stacking energy: -168.985 Base-Backbone interact. energy: -0.075 local terms energy: -272.945558 where: bonds (distance) C4'-P energy: -69.500 bonds (distance) P-C4' energy: -78.134 flat angles C4'-P-C4' energy: -67.689 flat angles P-C4'-P energy: -52.739 tors. eta vs tors. theta energy: -4.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1575.357588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.357588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.357588 (E_RNA) where: Base-Base interactions energy: -1105.291 where: short stacking energy: -461.609 Base-Backbone interact. energy: -1.220 local terms energy: -468.846176 where: bonds (distance) C4'-P energy: -86.949 bonds (distance) P-C4' energy: -90.494 flat angles C4'-P-C4' energy: -96.496 flat angles P-C4'-P energy: -70.341 tors. eta vs tors. theta energy: -124.566 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: 418 Temperature: 0.950000 Total energy: -1493.410537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.410537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.410537 (E_RNA) where: Base-Base interactions energy: -1053.345 where: short stacking energy: -445.695 Base-Backbone interact. energy: -0.427 local terms energy: -439.638457 where: bonds (distance) C4'-P energy: -75.830 bonds (distance) P-C4' energy: -83.449 flat angles C4'-P-C4' energy: -96.521 flat angles P-C4'-P energy: -56.692 tors. eta vs tors. theta energy: -127.146 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: 418 Temperature: 1.000000 Total energy: -1468.693190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.693190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.693190 (E_RNA) where: Base-Base interactions energy: -1027.252 where: short stacking energy: -418.297 Base-Backbone interact. energy: 2.065 local terms energy: -443.506068 where: bonds (distance) C4'-P energy: -88.844 bonds (distance) P-C4' energy: -83.642 flat angles C4'-P-C4' energy: -91.651 flat angles P-C4'-P energy: -61.950 tors. eta vs tors. theta energy: -117.419 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: 1 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1430.717437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.717437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.717437 (E_RNA) where: Base-Base interactions energy: -996.485 where: short stacking energy: -414.476 Base-Backbone interact. energy: -3.455 local terms energy: -430.777010 where: bonds (distance) C4'-P energy: -91.235 bonds (distance) P-C4' energy: -75.639 flat angles C4'-P-C4' energy: -90.790 flat angles P-C4'-P energy: -62.184 tors. eta vs tors. theta energy: -110.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1382.758719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.758719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.758719 (E_RNA) where: Base-Base interactions energy: -982.861 where: short stacking energy: -421.899 Base-Backbone interact. energy: -0.177 local terms energy: -399.720411 where: bonds (distance) C4'-P energy: -71.973 bonds (distance) P-C4' energy: -78.788 flat angles C4'-P-C4' energy: -81.087 flat angles P-C4'-P energy: -48.702 tors. eta vs tors. theta energy: -119.172 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: 6, replica: 9 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1231.748291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.748291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.748291 (E_RNA) where: Base-Base interactions energy: -855.522 where: short stacking energy: -369.325 Base-Backbone interact. energy: -1.937 local terms energy: -374.289157 where: bonds (distance) C4'-P energy: -73.662 bonds (distance) P-C4' energy: -68.700 flat angles C4'-P-C4' energy: -87.426 flat angles P-C4'-P energy: -50.976 tors. eta vs tors. theta energy: -93.524 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: 418 Temperature: 1.200000 Total energy: -1149.342931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.342931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.342931 (E_RNA) where: Base-Base interactions energy: -779.942 where: short stacking energy: -335.517 Base-Backbone interact. energy: -1.481 local terms energy: -367.919302 where: bonds (distance) C4'-P energy: -71.473 bonds (distance) P-C4' energy: -71.091 flat angles C4'-P-C4' energy: -80.710 flat angles P-C4'-P energy: -53.546 tors. eta vs tors. theta energy: -91.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1074.276836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.276836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.276836 (E_RNA) where: Base-Base interactions energy: -754.933 where: short stacking energy: -330.599 Base-Backbone interact. energy: 1.812 local terms energy: -321.155862 where: bonds (distance) C4'-P energy: -59.470 bonds (distance) P-C4' energy: -62.692 flat angles C4'-P-C4' energy: -81.735 flat angles P-C4'-P energy: -44.196 tors. eta vs tors. theta energy: -73.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -642.129994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.129994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.129994 (E_RNA) where: Base-Base interactions energy: -358.863 where: short stacking energy: -185.033 Base-Backbone interact. energy: -2.199 local terms energy: -281.068499 where: bonds (distance) C4'-P energy: -69.595 bonds (distance) P-C4' energy: -63.935 flat angles C4'-P-C4' energy: -68.113 flat angles P-C4'-P energy: -46.593 tors. eta vs tors. theta energy: -32.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -743.825083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.825083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.825083 (E_RNA) where: Base-Base interactions energy: -469.340 where: short stacking energy: -220.853 Base-Backbone interact. energy: -1.139 local terms energy: -273.345901 where: bonds (distance) C4'-P energy: -62.353 bonds (distance) P-C4' energy: -68.487 flat angles C4'-P-C4' energy: -72.566 flat angles P-C4'-P energy: -32.869 tors. eta vs tors. theta energy: -37.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1556.480189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.480189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.480189 (E_RNA) where: Base-Base interactions energy: -1094.673 where: short stacking energy: -449.191 Base-Backbone interact. energy: -1.915 local terms energy: -459.892194 where: bonds (distance) C4'-P energy: -75.550 bonds (distance) P-C4' energy: -90.168 flat angles C4'-P-C4' energy: -100.191 flat angles P-C4'-P energy: -68.186 tors. eta vs tors. theta energy: -125.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1495.633185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.633185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.633185 (E_RNA) where: Base-Base interactions energy: -1045.048 where: short stacking energy: -433.332 Base-Backbone interact. energy: 0.551 local terms energy: -451.136218 where: bonds (distance) C4'-P energy: -80.404 bonds (distance) P-C4' energy: -88.015 flat angles C4'-P-C4' energy: -93.722 flat angles P-C4'-P energy: -63.236 tors. eta vs tors. theta energy: -125.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1480.566525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.566525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.566525 (E_RNA) where: Base-Base interactions energy: -1019.337 where: short stacking energy: -463.609 Base-Backbone interact. energy: -0.523 local terms energy: -460.706109 where: bonds (distance) C4'-P energy: -86.827 bonds (distance) P-C4' energy: -79.040 flat angles C4'-P-C4' energy: -96.080 flat angles P-C4'-P energy: -61.684 tors. eta vs tors. theta energy: -137.076 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: 1 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1437.692776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.692776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.692776 (E_RNA) where: Base-Base interactions energy: -1025.583 where: short stacking energy: -422.941 Base-Backbone interact. energy: -2.918 local terms energy: -409.191748 where: bonds (distance) C4'-P energy: -64.039 bonds (distance) P-C4' energy: -85.180 flat angles C4'-P-C4' energy: -78.891 flat angles P-C4'-P energy: -67.176 tors. eta vs tors. theta energy: -113.906 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: 10 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1393.911952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.911952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.911952 (E_RNA) where: Base-Base interactions energy: -964.919 where: short stacking energy: -429.189 Base-Backbone interact. energy: -1.663 local terms energy: -427.329718 where: bonds (distance) C4'-P energy: -71.361 bonds (distance) P-C4' energy: -81.172 flat angles C4'-P-C4' energy: -90.010 flat angles P-C4'-P energy: -62.760 tors. eta vs tors. theta energy: -122.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1238.453377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.453377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.453377 (E_RNA) where: Base-Base interactions energy: -839.232 where: short stacking energy: -392.479 Base-Backbone interact. energy: -1.083 local terms energy: -398.137763 where: bonds (distance) C4'-P energy: -61.186 bonds (distance) P-C4' energy: -89.041 flat angles C4'-P-C4' energy: -88.857 flat angles P-C4'-P energy: -56.406 tors. eta vs tors. theta energy: -102.648 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: 419 Temperature: 1.200000 Total energy: -1139.682390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.682390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.682390 (E_RNA) where: Base-Base interactions energy: -784.170 where: short stacking energy: -338.930 Base-Backbone interact. energy: -0.740 local terms energy: -354.772374 where: bonds (distance) C4'-P energy: -70.330 bonds (distance) P-C4' energy: -72.069 flat angles C4'-P-C4' energy: -81.905 flat angles P-C4'-P energy: -50.666 tors. eta vs tors. theta energy: -79.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1090.642840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.642840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.642840 (E_RNA) where: Base-Base interactions energy: -729.096 where: short stacking energy: -335.765 Base-Backbone interact. energy: -1.790 local terms energy: -359.757022 where: bonds (distance) C4'-P energy: -68.444 bonds (distance) P-C4' energy: -61.810 flat angles C4'-P-C4' energy: -74.863 flat angles P-C4'-P energy: -56.428 tors. eta vs tors. theta energy: -98.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -648.758555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.758555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.758555 (E_RNA) where: Base-Base interactions energy: -387.262 where: short stacking energy: -178.832 Base-Backbone interact. energy: 1.057 local terms energy: -262.553522 where: bonds (distance) C4'-P energy: -74.317 bonds (distance) P-C4' energy: -74.258 flat angles C4'-P-C4' energy: -55.079 flat angles P-C4'-P energy: -45.706 tors. eta vs tors. theta energy: -13.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -765.048118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.048118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.048118 (E_RNA) where: Base-Base interactions energy: -492.971 where: short stacking energy: -229.562 Base-Backbone interact. energy: -0.427 local terms energy: -271.649672 where: bonds (distance) C4'-P energy: -52.574 bonds (distance) P-C4' energy: -81.695 flat angles C4'-P-C4' energy: -59.738 flat angles P-C4'-P energy: -43.778 tors. eta vs tors. theta energy: -33.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1569.372766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.372766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.372766 (E_RNA) where: Base-Base interactions energy: -1125.854 where: short stacking energy: -451.560 Base-Backbone interact. energy: -4.501 local terms energy: -439.017357 where: bonds (distance) C4'-P energy: -74.137 bonds (distance) P-C4' energy: -77.323 flat angles C4'-P-C4' energy: -101.952 flat angles P-C4'-P energy: -65.523 tors. eta vs tors. theta energy: -120.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1493.151966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.151966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.151966 (E_RNA) where: Base-Base interactions energy: -1051.463 where: short stacking energy: -451.978 Base-Backbone interact. energy: -0.538 local terms energy: -441.150545 where: bonds (distance) C4'-P energy: -81.274 bonds (distance) P-C4' energy: -88.679 flat angles C4'-P-C4' energy: -75.647 flat angles P-C4'-P energy: -68.982 tors. eta vs tors. theta energy: -126.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1448.907204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.907204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.907204 (E_RNA) where: Base-Base interactions energy: -1003.069 where: short stacking energy: -439.168 Base-Backbone interact. energy: -1.116 local terms energy: -444.722107 where: bonds (distance) C4'-P energy: -74.923 bonds (distance) P-C4' energy: -86.699 flat angles C4'-P-C4' energy: -97.346 flat angles P-C4'-P energy: -68.111 tors. eta vs tors. theta energy: -117.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1467.382528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.382528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.382528 (E_RNA) where: Base-Base interactions energy: -1042.273 where: short stacking energy: -428.949 Base-Backbone interact. energy: -1.137 local terms energy: -423.972635 where: bonds (distance) C4'-P energy: -66.093 bonds (distance) P-C4' energy: -91.331 flat angles C4'-P-C4' energy: -84.453 flat angles P-C4'-P energy: -65.510 tors. eta vs tors. theta energy: -116.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1370.131244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.131244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.131244 (E_RNA) where: Base-Base interactions energy: -948.218 where: short stacking energy: -402.373 Base-Backbone interact. energy: -2.373 local terms energy: -419.540455 where: bonds (distance) C4'-P energy: -76.641 bonds (distance) P-C4' energy: -82.152 flat angles C4'-P-C4' energy: -92.227 flat angles P-C4'-P energy: -50.954 tors. eta vs tors. theta energy: -117.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1208.175761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.175761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.175761 (E_RNA) where: Base-Base interactions energy: -831.856 where: short stacking energy: -362.892 Base-Backbone interact. energy: 0.553 local terms energy: -376.873662 where: bonds (distance) C4'-P energy: -73.088 bonds (distance) P-C4' energy: -78.492 flat angles C4'-P-C4' energy: -82.254 flat angles P-C4'-P energy: -55.861 tors. eta vs tors. theta energy: -87.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1135.585950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.585950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.585950 (E_RNA) where: Base-Base interactions energy: -773.138 where: short stacking energy: -336.667 Base-Backbone interact. energy: 3.216 local terms energy: -365.664013 where: bonds (distance) C4'-P energy: -67.040 bonds (distance) P-C4' energy: -79.109 flat angles C4'-P-C4' energy: -91.016 flat angles P-C4'-P energy: -47.980 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: 8, replica: 6 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1097.384216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.384216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.384216 (E_RNA) where: Base-Base interactions energy: -746.263 where: short stacking energy: -301.573 Base-Backbone interact. energy: 0.574 local terms energy: -351.694711 where: bonds (distance) C4'-P energy: -64.879 bonds (distance) P-C4' energy: -72.562 flat angles C4'-P-C4' energy: -93.115 flat angles P-C4'-P energy: -46.800 tors. eta vs tors. theta energy: -74.339 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: 5 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -751.630409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.630409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.630409 (E_RNA) where: Base-Base interactions energy: -461.185 where: short stacking energy: -227.376 Base-Backbone interact. energy: -0.418 local terms energy: -290.027976 where: bonds (distance) C4'-P energy: -66.044 bonds (distance) P-C4' energy: -82.936 flat angles C4'-P-C4' energy: -64.200 flat angles P-C4'-P energy: -46.454 tors. eta vs tors. theta energy: -30.394 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: 4 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -614.549140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.549140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.549140 (E_RNA) where: Base-Base interactions energy: -358.350 where: short stacking energy: -185.266 Base-Backbone interact. energy: 0.544 local terms energy: -256.742808 where: bonds (distance) C4'-P energy: -54.632 bonds (distance) P-C4' energy: -72.514 flat angles C4'-P-C4' energy: -66.741 flat angles P-C4'-P energy: -50.168 tors. eta vs tors. theta energy: -12.688 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: 3 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1571.752792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.752792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.752792 (E_RNA) where: Base-Base interactions energy: -1127.091 where: short stacking energy: -452.955 Base-Backbone interact. energy: -1.774 local terms energy: -442.887729 where: bonds (distance) C4'-P energy: -79.988 bonds (distance) P-C4' energy: -82.344 flat angles C4'-P-C4' energy: -101.592 flat angles P-C4'-P energy: -60.477 tors. eta vs tors. theta energy: -118.487 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: 8 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1478.054185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.054185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.054185 (E_RNA) where: Base-Base interactions energy: -1032.780 where: short stacking energy: -441.190 Base-Backbone interact. energy: -1.943 local terms energy: -443.330559 where: bonds (distance) C4'-P energy: -75.685 bonds (distance) P-C4' energy: -82.325 flat angles C4'-P-C4' energy: -98.604 flat angles P-C4'-P energy: -68.563 tors. eta vs tors. theta energy: -118.153 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: 2 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1437.347279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.347279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.347279 (E_RNA) where: Base-Base interactions energy: -1022.722 where: short stacking energy: -412.616 Base-Backbone interact. energy: -2.651 local terms energy: -411.973617 where: bonds (distance) C4'-P energy: -64.529 bonds (distance) P-C4' energy: -87.476 flat angles C4'-P-C4' energy: -86.696 flat angles P-C4'-P energy: -60.514 tors. eta vs tors. theta energy: -112.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1449.211953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.211953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.211953 (E_RNA) where: Base-Base interactions energy: -1022.400 where: short stacking energy: -429.972 Base-Backbone interact. energy: -1.673 local terms energy: -425.138484 where: bonds (distance) C4'-P energy: -66.123 bonds (distance) P-C4' energy: -86.828 flat angles C4'-P-C4' energy: -93.786 flat angles P-C4'-P energy: -59.030 tors. eta vs tors. theta energy: -119.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -1368.992604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.992604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.992604 (E_RNA) where: Base-Base interactions energy: -951.138 where: short stacking energy: -411.616 Base-Backbone interact. energy: 2.718 local terms energy: -420.572720 where: bonds (distance) C4'-P energy: -83.785 bonds (distance) P-C4' energy: -81.466 flat angles C4'-P-C4' energy: -82.240 flat angles P-C4'-P energy: -53.097 tors. eta vs tors. theta energy: -119.985 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: 6, replica: 9 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1214.479587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.479587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.479587 (E_RNA) where: Base-Base interactions energy: -838.635 where: short stacking energy: -361.548 Base-Backbone interact. energy: 1.530 local terms energy: -377.373773 where: bonds (distance) C4'-P energy: -73.440 bonds (distance) P-C4' energy: -74.376 flat angles C4'-P-C4' energy: -85.538 flat angles P-C4'-P energy: -55.566 tors. eta vs tors. theta energy: -88.454 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: 7, replica: 7 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1232.347794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.347794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.347794 (E_RNA) where: Base-Base interactions energy: -850.375 where: short stacking energy: -404.082 Base-Backbone interact. energy: 5.243 local terms energy: -387.216395 where: bonds (distance) C4'-P energy: -66.159 bonds (distance) P-C4' energy: -69.817 flat angles C4'-P-C4' energy: -81.802 flat angles P-C4'-P energy: -63.840 tors. eta vs tors. theta energy: -105.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1048.891956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.891956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.891956 (E_RNA) where: Base-Base interactions energy: -706.851 where: short stacking energy: -314.906 Base-Backbone interact. energy: -2.386 local terms energy: -339.654575 where: bonds (distance) C4'-P energy: -68.375 bonds (distance) P-C4' energy: -66.175 flat angles C4'-P-C4' energy: -80.747 flat angles P-C4'-P energy: -50.252 tors. eta vs tors. theta energy: -74.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -776.736738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.736738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.736738 (E_RNA) where: Base-Base interactions energy: -493.170 where: short stacking energy: -243.123 Base-Backbone interact. energy: -1.097 local terms energy: -282.470526 where: bonds (distance) C4'-P energy: -56.296 bonds (distance) P-C4' energy: -68.781 flat angles C4'-P-C4' energy: -70.344 flat angles P-C4'-P energy: -46.758 tors. eta vs tors. theta energy: -40.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -547.747420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.747420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.747420 (E_RNA) where: Base-Base interactions energy: -304.565 where: short stacking energy: -156.179 Base-Backbone interact. energy: -0.877 local terms energy: -242.305023 where: bonds (distance) C4'-P energy: -72.795 bonds (distance) P-C4' energy: -54.865 flat angles C4'-P-C4' energy: -61.464 flat angles P-C4'-P energy: -45.681 tors. eta vs tors. theta energy: -7.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1571.504032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.504032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.504032 (E_RNA) where: Base-Base interactions energy: -1116.594 where: short stacking energy: -463.876 Base-Backbone interact. energy: -1.548 local terms energy: -453.361864 where: bonds (distance) C4'-P energy: -88.897 bonds (distance) P-C4' energy: -75.608 flat angles C4'-P-C4' energy: -99.711 flat angles P-C4'-P energy: -64.315 tors. eta vs tors. theta energy: -124.831 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: 422 Temperature: 0.950000 Total energy: -1494.676930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.676930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.676930 (E_RNA) where: Base-Base interactions energy: -1073.147 where: short stacking energy: -460.386 Base-Backbone interact. energy: -1.448 local terms energy: -420.081767 where: bonds (distance) C4'-P energy: -68.778 bonds (distance) P-C4' energy: -77.904 flat angles C4'-P-C4' energy: -87.714 flat angles P-C4'-P energy: -56.563 tors. eta vs tors. theta energy: -129.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1450.117810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.117810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.117810 (E_RNA) where: Base-Base interactions energy: -1007.554 where: short stacking energy: -425.807 Base-Backbone interact. energy: -0.946 local terms energy: -441.617630 where: bonds (distance) C4'-P energy: -83.438 bonds (distance) P-C4' energy: -78.973 flat angles C4'-P-C4' energy: -98.335 flat angles P-C4'-P energy: -60.334 tors. eta vs tors. theta energy: -120.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1450.993175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.993175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.993175 (E_RNA) where: Base-Base interactions energy: -1030.563 where: short stacking energy: -425.165 Base-Backbone interact. energy: -0.441 local terms energy: -419.989203 where: bonds (distance) C4'-P energy: -70.814 bonds (distance) P-C4' energy: -79.952 flat angles C4'-P-C4' energy: -90.744 flat angles P-C4'-P energy: -61.719 tors. eta vs tors. theta energy: -116.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1350.302697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.302697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.302697 (E_RNA) where: Base-Base interactions energy: -943.367 where: short stacking energy: -406.798 Base-Backbone interact. energy: 0.337 local terms energy: -407.273076 where: bonds (distance) C4'-P energy: -75.571 bonds (distance) P-C4' energy: -74.382 flat angles C4'-P-C4' energy: -87.837 flat angles P-C4'-P energy: -51.527 tors. eta vs tors. theta energy: -117.956 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: 6, replica: 9 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1233.199649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.199649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.199649 (E_RNA) where: Base-Base interactions energy: -846.988 where: short stacking energy: -367.467 Base-Backbone interact. energy: -1.421 local terms energy: -384.791041 where: bonds (distance) C4'-P energy: -65.163 bonds (distance) P-C4' energy: -74.167 flat angles C4'-P-C4' energy: -88.153 flat angles P-C4'-P energy: -55.724 tors. eta vs tors. theta energy: -101.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1183.123389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.123389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.123389 (E_RNA) where: Base-Base interactions energy: -793.265 where: short stacking energy: -334.148 Base-Backbone interact. energy: -0.974 local terms energy: -388.884223 where: bonds (distance) C4'-P energy: -73.714 bonds (distance) P-C4' energy: -79.042 flat angles C4'-P-C4' energy: -80.141 flat angles P-C4'-P energy: -53.067 tors. eta vs tors. theta energy: -102.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1077.283597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.283597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.283597 (E_RNA) where: Base-Base interactions energy: -731.190 where: short stacking energy: -316.697 Base-Backbone interact. energy: -0.912 local terms energy: -345.181297 where: bonds (distance) C4'-P energy: -72.724 bonds (distance) P-C4' energy: -72.666 flat angles C4'-P-C4' energy: -81.183 flat angles P-C4'-P energy: -45.151 tors. eta vs tors. theta energy: -73.457 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: 5 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -791.071750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.071750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.071750 (E_RNA) where: Base-Base interactions energy: -480.009 where: short stacking energy: -222.449 Base-Backbone interact. energy: 2.578 local terms energy: -313.640514 where: bonds (distance) C4'-P energy: -72.437 bonds (distance) P-C4' energy: -71.228 flat angles C4'-P-C4' energy: -72.251 flat angles P-C4'-P energy: -47.671 tors. eta vs tors. theta energy: -50.052 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: 10, replica: 4 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -509.412576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.412576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.412576 (E_RNA) where: Base-Base interactions energy: -253.456 where: short stacking energy: -147.561 Base-Backbone interact. energy: 1.557 local terms energy: -257.512891 where: bonds (distance) C4'-P energy: -77.801 bonds (distance) P-C4' energy: -75.539 flat angles C4'-P-C4' energy: -55.661 flat angles P-C4'-P energy: -40.404 tors. eta vs tors. theta energy: -8.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1594.108369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.108369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.108369 (E_RNA) where: Base-Base interactions energy: -1134.920 where: short stacking energy: -474.449 Base-Backbone interact. energy: -3.455 local terms energy: -455.733309 where: bonds (distance) C4'-P energy: -85.450 bonds (distance) P-C4' energy: -78.098 flat angles C4'-P-C4' energy: -91.537 flat angles P-C4'-P energy: -75.281 tors. eta vs tors. theta energy: -125.366 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: 2 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1494.155277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.155277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.155277 (E_RNA) where: Base-Base interactions energy: -1058.999 where: short stacking energy: -447.784 Base-Backbone interact. energy: -1.012 local terms energy: -434.145018 where: bonds (distance) C4'-P energy: -84.484 bonds (distance) P-C4' energy: -71.547 flat angles C4'-P-C4' energy: -93.177 flat angles P-C4'-P energy: -59.283 tors. eta vs tors. theta energy: -125.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1422.198890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.198890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.198890 (E_RNA) where: Base-Base interactions energy: -971.491 where: short stacking energy: -415.869 Base-Backbone interact. energy: -0.544 local terms energy: -450.163650 where: bonds (distance) C4'-P energy: -81.032 bonds (distance) P-C4' energy: -80.163 flat angles C4'-P-C4' energy: -99.731 flat angles P-C4'-P energy: -70.005 tors. eta vs tors. theta energy: -119.233 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: 1 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1434.073532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.073532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.073532 (E_RNA) where: Base-Base interactions energy: -1002.410 where: short stacking energy: -423.192 Base-Backbone interact. energy: 2.778 local terms energy: -434.442201 where: bonds (distance) C4'-P energy: -69.446 bonds (distance) P-C4' energy: -84.732 flat angles C4'-P-C4' energy: -96.097 flat angles P-C4'-P energy: -58.169 tors. eta vs tors. theta energy: -125.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1355.932185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.932185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.932185 (E_RNA) where: Base-Base interactions energy: -960.624 where: short stacking energy: -421.077 Base-Backbone interact. energy: -0.716 local terms energy: -394.592189 where: bonds (distance) C4'-P energy: -72.869 bonds (distance) P-C4' energy: -70.271 flat angles C4'-P-C4' energy: -88.089 flat angles P-C4'-P energy: -47.951 tors. eta vs tors. theta energy: -115.412 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: 9 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1242.497740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.497740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.497740 (E_RNA) where: Base-Base interactions energy: -866.491 where: short stacking energy: -375.561 Base-Backbone interact. energy: -0.428 local terms energy: -375.578382 where: bonds (distance) C4'-P energy: -61.408 bonds (distance) P-C4' energy: -85.131 flat angles C4'-P-C4' energy: -92.692 flat angles P-C4'-P energy: -47.130 tors. eta vs tors. theta energy: -89.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1158.046390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.046390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.046390 (E_RNA) where: Base-Base interactions energy: -782.458 where: short stacking energy: -338.210 Base-Backbone interact. energy: 0.893 local terms energy: -376.481765 where: bonds (distance) C4'-P energy: -64.844 bonds (distance) P-C4' energy: -79.202 flat angles C4'-P-C4' energy: -82.657 flat angles P-C4'-P energy: -62.213 tors. eta vs tors. theta energy: -87.566 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: 423 Temperature: 1.250000 Total energy: -1117.703407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.703407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.703407 (E_RNA) where: Base-Base interactions energy: -755.033 where: short stacking energy: -319.489 Base-Backbone interact. energy: -1.603 local terms energy: -361.067211 where: bonds (distance) C4'-P energy: -70.974 bonds (distance) P-C4' energy: -71.557 flat angles C4'-P-C4' energy: -81.328 flat angles P-C4'-P energy: -46.646 tors. eta vs tors. theta energy: -90.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -782.477292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.477292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.477292 (E_RNA) where: Base-Base interactions energy: -499.860 where: short stacking energy: -249.067 Base-Backbone interact. energy: -0.371 local terms energy: -282.246927 where: bonds (distance) C4'-P energy: -62.076 bonds (distance) P-C4' energy: -64.716 flat angles C4'-P-C4' energy: -70.870 flat angles P-C4'-P energy: -37.516 tors. eta vs tors. theta energy: -47.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -498.708386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.708386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.708386 (E_RNA) where: Base-Base interactions energy: -237.255 where: short stacking energy: -157.140 Base-Backbone interact. energy: 0.488 local terms energy: -261.941663 where: bonds (distance) C4'-P energy: -70.840 bonds (distance) P-C4' energy: -81.935 flat angles C4'-P-C4' energy: -73.120 flat angles P-C4'-P energy: -37.364 tors. eta vs tors. theta energy: 1.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1567.130988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.130988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.130988 (E_RNA) where: Base-Base interactions energy: -1096.287 where: short stacking energy: -442.565 Base-Backbone interact. energy: -1.804 local terms energy: -469.039216 where: bonds (distance) C4'-P energy: -94.564 bonds (distance) P-C4' energy: -87.937 flat angles C4'-P-C4' energy: -95.161 flat angles P-C4'-P energy: -73.988 tors. eta vs tors. theta energy: -117.389 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: 2 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1486.268314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.268314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.268314 (E_RNA) where: Base-Base interactions energy: -1035.041 where: short stacking energy: -448.870 Base-Backbone interact. energy: -2.269 local terms energy: -448.958236 where: bonds (distance) C4'-P energy: -79.631 bonds (distance) P-C4' energy: -87.305 flat angles C4'-P-C4' energy: -93.318 flat angles P-C4'-P energy: -61.211 tors. eta vs tors. theta energy: -127.493 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: 424 Temperature: 1.000000 Total energy: -1461.685863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.685863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.685863 (E_RNA) where: Base-Base interactions energy: -1033.388 where: short stacking energy: -441.295 Base-Backbone interact. energy: -3.230 local terms energy: -425.068483 where: bonds (distance) C4'-P energy: -82.336 bonds (distance) P-C4' energy: -72.180 flat angles C4'-P-C4' energy: -90.761 flat angles P-C4'-P energy: -65.099 tors. eta vs tors. theta energy: -114.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1429.271439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.271439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.271439 (E_RNA) where: Base-Base interactions energy: -1010.067 where: short stacking energy: -442.345 Base-Backbone interact. energy: -1.543 local terms energy: -417.661887 where: bonds (distance) C4'-P energy: -70.371 bonds (distance) P-C4' energy: -77.408 flat angles C4'-P-C4' energy: -89.009 flat angles P-C4'-P energy: -60.660 tors. eta vs tors. theta energy: -120.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1330.346307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.346307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.346307 (E_RNA) where: Base-Base interactions energy: -915.516 where: short stacking energy: -391.473 Base-Backbone interact. energy: 0.068 local terms energy: -414.898674 where: bonds (distance) C4'-P energy: -90.182 bonds (distance) P-C4' energy: -72.411 flat angles C4'-P-C4' energy: -82.539 flat angles P-C4'-P energy: -61.119 tors. eta vs tors. theta energy: -108.647 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: 9 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1218.161629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.161629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.161629 (E_RNA) where: Base-Base interactions energy: -840.132 where: short stacking energy: -370.478 Base-Backbone interact. energy: -0.522 local terms energy: -377.507925 where: bonds (distance) C4'-P energy: -78.083 bonds (distance) P-C4' energy: -75.883 flat angles C4'-P-C4' energy: -89.424 flat angles P-C4'-P energy: -32.511 tors. eta vs tors. theta energy: -101.607 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: 7, replica: 6 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1152.396742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.396742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.396742 (E_RNA) where: Base-Base interactions energy: -789.691 where: short stacking energy: -320.339 Base-Backbone interact. energy: -0.834 local terms energy: -361.871109 where: bonds (distance) C4'-P energy: -63.164 bonds (distance) P-C4' energy: -88.225 flat angles C4'-P-C4' energy: -74.018 flat angles P-C4'-P energy: -51.209 tors. eta vs tors. theta energy: -85.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1113.859618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.859618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.859618 (E_RNA) where: Base-Base interactions energy: -749.519 where: short stacking energy: -331.512 Base-Backbone interact. energy: -0.568 local terms energy: -363.772750 where: bonds (distance) C4'-P energy: -63.931 bonds (distance) P-C4' energy: -69.648 flat angles C4'-P-C4' energy: -79.369 flat angles P-C4'-P energy: -54.322 tors. eta vs tors. theta energy: -96.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -797.372925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.372925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.372925 (E_RNA) where: Base-Base interactions energy: -515.852 where: short stacking energy: -251.083 Base-Backbone interact. energy: 0.441 local terms energy: -281.961083 where: bonds (distance) C4'-P energy: -64.341 bonds (distance) P-C4' energy: -66.024 flat angles C4'-P-C4' energy: -72.759 flat angles P-C4'-P energy: -40.468 tors. eta vs tors. theta energy: -38.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -456.344874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.344874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.344874 (E_RNA) where: Base-Base interactions energy: -226.287 where: short stacking energy: -137.053 Base-Backbone interact. energy: 0.376 local terms energy: -230.433195 where: bonds (distance) C4'-P energy: -63.649 bonds (distance) P-C4' energy: -59.642 flat angles C4'-P-C4' energy: -74.859 flat angles P-C4'-P energy: -32.338 tors. eta vs tors. theta energy: 0.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1549.433648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.433648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.433648 (E_RNA) where: Base-Base interactions energy: -1091.833 where: short stacking energy: -444.928 Base-Backbone interact. energy: -0.190 local terms energy: -457.410460 where: bonds (distance) C4'-P energy: -78.720 bonds (distance) P-C4' energy: -92.423 flat angles C4'-P-C4' energy: -89.797 flat angles P-C4'-P energy: -69.225 tors. eta vs tors. theta energy: -127.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1479.358563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.358563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.358563 (E_RNA) where: Base-Base interactions energy: -1026.456 where: short stacking energy: -435.220 Base-Backbone interact. energy: -1.787 local terms energy: -451.115732 where: bonds (distance) C4'-P energy: -80.511 bonds (distance) P-C4' energy: -82.780 flat angles C4'-P-C4' energy: -104.790 flat angles P-C4'-P energy: -60.583 tors. eta vs tors. theta energy: -122.452 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: 3, replica: 1 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1463.728685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.728685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.728685 (E_RNA) where: Base-Base interactions energy: -1047.337 where: short stacking energy: -398.172 Base-Backbone interact. energy: -0.475 local terms energy: -415.916932 where: bonds (distance) C4'-P energy: -83.638 bonds (distance) P-C4' energy: -66.371 flat angles C4'-P-C4' energy: -93.477 flat angles P-C4'-P energy: -58.487 tors. eta vs tors. theta energy: -113.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1418.628592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.628592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.628592 (E_RNA) where: Base-Base interactions energy: -1000.274 where: short stacking energy: -419.726 Base-Backbone interact. energy: 0.286 local terms energy: -418.640481 where: bonds (distance) C4'-P energy: -68.793 bonds (distance) P-C4' energy: -78.214 flat angles C4'-P-C4' energy: -91.755 flat angles P-C4'-P energy: -63.133 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: 5, replica: 10 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1362.249339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.249339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.249339 (E_RNA) where: Base-Base interactions energy: -933.319 where: short stacking energy: -405.433 Base-Backbone interact. energy: -2.241 local terms energy: -426.689106 where: bonds (distance) C4'-P energy: -79.545 bonds (distance) P-C4' energy: -76.752 flat angles C4'-P-C4' energy: -90.877 flat angles P-C4'-P energy: -59.331 tors. eta vs tors. theta energy: -120.184 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: 9 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1241.427061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.427061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.427061 (E_RNA) where: Base-Base interactions energy: -838.336 where: short stacking energy: -361.968 Base-Backbone interact. energy: 0.324 local terms energy: -403.415274 where: bonds (distance) C4'-P energy: -71.466 bonds (distance) P-C4' energy: -81.303 flat angles C4'-P-C4' energy: -92.836 flat angles P-C4'-P energy: -45.391 tors. eta vs tors. theta energy: -112.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1152.242467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.242467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.242467 (E_RNA) where: Base-Base interactions energy: -800.646 where: short stacking energy: -341.989 Base-Backbone interact. energy: -0.383 local terms energy: -351.213883 where: bonds (distance) C4'-P energy: -56.638 bonds (distance) P-C4' energy: -81.124 flat angles C4'-P-C4' energy: -80.531 flat angles P-C4'-P energy: -56.904 tors. eta vs tors. theta energy: -76.018 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: 7 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1111.491222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.491222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.491222 (E_RNA) where: Base-Base interactions energy: -746.312 where: short stacking energy: -318.723 Base-Backbone interact. energy: -1.109 local terms energy: -364.070186 where: bonds (distance) C4'-P energy: -84.270 bonds (distance) P-C4' energy: -72.463 flat angles C4'-P-C4' energy: -75.751 flat angles P-C4'-P energy: -43.245 tors. eta vs tors. theta energy: -88.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -781.782706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.782706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.782706 (E_RNA) where: Base-Base interactions energy: -485.114 where: short stacking energy: -229.215 Base-Backbone interact. energy: 9.576 local terms energy: -306.245017 where: bonds (distance) C4'-P energy: -58.757 bonds (distance) P-C4' energy: -80.856 flat angles C4'-P-C4' energy: -83.001 flat angles P-C4'-P energy: -47.301 tors. eta vs tors. theta energy: -36.329 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: 4 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -436.839708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.839708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.839708 (E_RNA) where: Base-Base interactions energy: -183.230 where: short stacking energy: -110.550 Base-Backbone interact. energy: -0.261 local terms energy: -253.348608 where: bonds (distance) C4'-P energy: -72.306 bonds (distance) P-C4' energy: -72.987 flat angles C4'-P-C4' energy: -66.219 flat angles P-C4'-P energy: -45.222 tors. eta vs tors. theta energy: 3.385 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: 3 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1572.624394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.624394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.624394 (E_RNA) where: Base-Base interactions energy: -1116.572 where: short stacking energy: -458.864 Base-Backbone interact. energy: 1.010 local terms energy: -457.061963 where: bonds (distance) C4'-P energy: -82.797 bonds (distance) P-C4' energy: -90.259 flat angles C4'-P-C4' energy: -95.373 flat angles P-C4'-P energy: -71.516 tors. eta vs tors. theta energy: -117.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1497.471176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.471176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.471176 (E_RNA) where: Base-Base interactions energy: -1041.185 where: short stacking energy: -443.954 Base-Backbone interact. energy: -0.786 local terms energy: -455.499984 where: bonds (distance) C4'-P energy: -76.547 bonds (distance) P-C4' energy: -91.751 flat angles C4'-P-C4' energy: -95.202 flat angles P-C4'-P energy: -72.879 tors. eta vs tors. theta energy: -119.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1491.864643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.864643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.864643 (E_RNA) where: Base-Base interactions energy: -1060.080 where: short stacking energy: -430.627 Base-Backbone interact. energy: -1.511 local terms energy: -430.274081 where: bonds (distance) C4'-P energy: -79.215 bonds (distance) P-C4' energy: -86.672 flat angles C4'-P-C4' energy: -103.733 flat angles P-C4'-P energy: -54.216 tors. eta vs tors. theta energy: -106.438 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: 8 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1428.422853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.422853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.422853 (E_RNA) where: Base-Base interactions energy: -1011.955 where: short stacking energy: -440.048 Base-Backbone interact. energy: 0.395 local terms energy: -416.862819 where: bonds (distance) C4'-P energy: -72.781 bonds (distance) P-C4' energy: -67.007 flat angles C4'-P-C4' energy: -98.920 flat angles P-C4'-P energy: -62.330 tors. eta vs tors. theta energy: -115.824 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: 10 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1360.979457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.979457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.979457 (E_RNA) where: Base-Base interactions energy: -937.102 where: short stacking energy: -404.540 Base-Backbone interact. energy: -0.146 local terms energy: -423.730606 where: bonds (distance) C4'-P energy: -75.611 bonds (distance) P-C4' energy: -79.621 flat angles C4'-P-C4' energy: -88.786 flat angles P-C4'-P energy: -65.098 tors. eta vs tors. theta energy: -114.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1222.908934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.908934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.908934 (E_RNA) where: Base-Base interactions energy: -844.508 where: short stacking energy: -368.316 Base-Backbone interact. energy: 0.644 local terms energy: -379.045100 where: bonds (distance) C4'-P energy: -71.407 bonds (distance) P-C4' energy: -69.186 flat angles C4'-P-C4' energy: -92.569 flat angles P-C4'-P energy: -46.618 tors. eta vs tors. theta energy: -99.265 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: 6 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1227.958507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.958507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.958507 (E_RNA) where: Base-Base interactions energy: -893.540 where: short stacking energy: -368.438 Base-Backbone interact. energy: -1.068 local terms energy: -333.351098 where: bonds (distance) C4'-P energy: -53.448 bonds (distance) P-C4' energy: -60.981 flat angles C4'-P-C4' energy: -80.824 flat angles P-C4'-P energy: -54.564 tors. eta vs tors. theta energy: -83.534 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: 7 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1155.320205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.320205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.320205 (E_RNA) where: Base-Base interactions energy: -813.400 where: short stacking energy: -340.078 Base-Backbone interact. energy: -0.168 local terms energy: -341.752370 where: bonds (distance) C4'-P energy: -67.609 bonds (distance) P-C4' energy: -61.210 flat angles C4'-P-C4' energy: -76.161 flat angles P-C4'-P energy: -51.126 tors. eta vs tors. theta energy: -85.646 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: 9, replica: 5 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -833.087189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.087189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.087189 (E_RNA) where: Base-Base interactions energy: -555.729 where: short stacking energy: -236.559 Base-Backbone interact. energy: -1.306 local terms energy: -276.052262 where: bonds (distance) C4'-P energy: -68.742 bonds (distance) P-C4' energy: -65.722 flat angles C4'-P-C4' energy: -67.908 flat angles P-C4'-P energy: -30.195 tors. eta vs tors. theta energy: -43.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -454.947288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.947288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.947288 (E_RNA) where: Base-Base interactions energy: -214.179 where: short stacking energy: -122.023 Base-Backbone interact. energy: 3.638 local terms energy: -244.406296 where: bonds (distance) C4'-P energy: -68.431 bonds (distance) P-C4' energy: -66.759 flat angles C4'-P-C4' energy: -66.871 flat angles P-C4'-P energy: -35.290 tors. eta vs tors. theta energy: -7.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1557.204754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.204754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.204754 (E_RNA) where: Base-Base interactions energy: -1120.757 where: short stacking energy: -448.047 Base-Backbone interact. energy: -3.932 local terms energy: -432.516270 where: bonds (distance) C4'-P energy: -68.113 bonds (distance) P-C4' energy: -81.034 flat angles C4'-P-C4' energy: -93.838 flat angles P-C4'-P energy: -67.153 tors. eta vs tors. theta energy: -122.378 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: 2, replica: 1 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1491.032104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.032104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.032104 (E_RNA) where: Base-Base interactions energy: -1073.885 where: short stacking energy: -436.080 Base-Backbone interact. energy: 2.068 local terms energy: -419.214785 where: bonds (distance) C4'-P energy: -89.737 bonds (distance) P-C4' energy: -75.100 flat angles C4'-P-C4' energy: -87.089 flat angles P-C4'-P energy: -58.186 tors. eta vs tors. theta energy: -109.103 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: 2 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1448.885772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.885772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.885772 (E_RNA) where: Base-Base interactions energy: -1007.623 where: short stacking energy: -425.148 Base-Backbone interact. energy: -1.571 local terms energy: -439.691721 where: bonds (distance) C4'-P energy: -82.738 bonds (distance) P-C4' energy: -93.218 flat angles C4'-P-C4' energy: -90.680 flat angles P-C4'-P energy: -57.728 tors. eta vs tors. theta energy: -115.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1432.149438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.149438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.149438 (E_RNA) where: Base-Base interactions energy: -1021.229 where: short stacking energy: -418.172 Base-Backbone interact. energy: 0.180 local terms energy: -411.100466 where: bonds (distance) C4'-P energy: -64.945 bonds (distance) P-C4' energy: -80.797 flat angles C4'-P-C4' energy: -90.300 flat angles P-C4'-P energy: -60.140 tors. eta vs tors. theta energy: -114.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1336.111544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.111544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.111544 (E_RNA) where: Base-Base interactions energy: -926.119 where: short stacking energy: -405.270 Base-Backbone interact. energy: -1.467 local terms energy: -408.525537 where: bonds (distance) C4'-P energy: -66.656 bonds (distance) P-C4' energy: -84.358 flat angles C4'-P-C4' energy: -78.888 flat angles P-C4'-P energy: -64.157 tors. eta vs tors. theta energy: -114.466 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: 9 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -1245.746712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.746712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.746712 (E_RNA) where: Base-Base interactions energy: -841.362 where: short stacking energy: -373.070 Base-Backbone interact. energy: -0.698 local terms energy: -403.686599 where: bonds (distance) C4'-P energy: -71.300 bonds (distance) P-C4' energy: -81.505 flat angles C4'-P-C4' energy: -75.781 flat angles P-C4'-P energy: -66.543 tors. eta vs tors. theta energy: -108.557 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: 6 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1246.643955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.643955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.643955 (E_RNA) where: Base-Base interactions energy: -846.323 where: short stacking energy: -357.918 Base-Backbone interact. energy: -0.210 local terms energy: -400.110501 where: bonds (distance) C4'-P energy: -82.074 bonds (distance) P-C4' energy: -76.287 flat angles C4'-P-C4' energy: -93.632 flat angles P-C4'-P energy: -56.002 tors. eta vs tors. theta energy: -92.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1142.206799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.206799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.206799 (E_RNA) where: Base-Base interactions energy: -794.028 where: short stacking energy: -333.394 Base-Backbone interact. energy: 1.138 local terms energy: -349.316091 where: bonds (distance) C4'-P energy: -75.225 bonds (distance) P-C4' energy: -63.574 flat angles C4'-P-C4' energy: -62.000 flat angles P-C4'-P energy: -60.133 tors. eta vs tors. theta energy: -88.384 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: 9, replica: 5 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -820.184012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.184012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.184012 (E_RNA) where: Base-Base interactions energy: -512.956 where: short stacking energy: -233.208 Base-Backbone interact. energy: -0.989 local terms energy: -306.238483 where: bonds (distance) C4'-P energy: -63.097 bonds (distance) P-C4' energy: -77.620 flat angles C4'-P-C4' energy: -78.934 flat angles P-C4'-P energy: -43.342 tors. eta vs tors. theta energy: -43.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -447.340581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.340581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.340581 (E_RNA) where: Base-Base interactions energy: -200.925 where: short stacking energy: -127.462 Base-Backbone interact. energy: 1.574 local terms energy: -247.989504 where: bonds (distance) C4'-P energy: -76.168 bonds (distance) P-C4' energy: -78.649 flat angles C4'-P-C4' energy: -51.955 flat angles P-C4'-P energy: -43.736 tors. eta vs tors. theta energy: 2.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1589.920004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.920004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.920004 (E_RNA) where: Base-Base interactions energy: -1143.690 where: short stacking energy: -457.313 Base-Backbone interact. energy: -1.809 local terms energy: -444.421710 where: bonds (distance) C4'-P energy: -77.837 bonds (distance) P-C4' energy: -87.038 flat angles C4'-P-C4' energy: -89.010 flat angles P-C4'-P energy: -66.150 tors. eta vs tors. theta energy: -124.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1488.918137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.918137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.918137 (E_RNA) where: Base-Base interactions energy: -1069.265 where: short stacking energy: -422.008 Base-Backbone interact. energy: -3.074 local terms energy: -416.579216 where: bonds (distance) C4'-P energy: -73.102 bonds (distance) P-C4' energy: -85.497 flat angles C4'-P-C4' energy: -95.858 flat angles P-C4'-P energy: -57.013 tors. eta vs tors. theta energy: -105.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1429.319799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.319799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.319799 (E_RNA) where: Base-Base interactions energy: -1010.418 where: short stacking energy: -417.356 Base-Backbone interact. energy: -0.896 local terms energy: -418.006145 where: bonds (distance) C4'-P energy: -76.487 bonds (distance) P-C4' energy: -78.318 flat angles C4'-P-C4' energy: -88.332 flat angles P-C4'-P energy: -58.039 tors. eta vs tors. theta energy: -116.829 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: 8 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1432.472712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.472712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.472712 (E_RNA) where: Base-Base interactions energy: -990.837 where: short stacking energy: -424.563 Base-Backbone interact. energy: 5.603 local terms energy: -447.238195 where: bonds (distance) C4'-P energy: -83.640 bonds (distance) P-C4' energy: -93.467 flat angles C4'-P-C4' energy: -93.277 flat angles P-C4'-P energy: -59.505 tors. eta vs tors. theta energy: -117.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1365.597144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.597144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.597144 (E_RNA) where: Base-Base interactions energy: -948.215 where: short stacking energy: -401.773 Base-Backbone interact. energy: -0.090 local terms energy: -417.292225 where: bonds (distance) C4'-P energy: -72.013 bonds (distance) P-C4' energy: -79.030 flat angles C4'-P-C4' energy: -88.059 flat angles P-C4'-P energy: -57.529 tors. eta vs tors. theta energy: -120.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1223.852175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.852175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.852175 (E_RNA) where: Base-Base interactions energy: -850.659 where: short stacking energy: -358.699 Base-Backbone interact. energy: 0.305 local terms energy: -373.498122 where: bonds (distance) C4'-P energy: -77.926 bonds (distance) P-C4' energy: -56.567 flat angles C4'-P-C4' energy: -85.154 flat angles P-C4'-P energy: -59.547 tors. eta vs tors. theta energy: -94.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1238.603584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.603584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.603584 (E_RNA) where: Base-Base interactions energy: -872.348 where: short stacking energy: -372.828 Base-Backbone interact. energy: -1.431 local terms energy: -364.825291 where: bonds (distance) C4'-P energy: -60.571 bonds (distance) P-C4' energy: -79.446 flat angles C4'-P-C4' energy: -84.236 flat angles P-C4'-P energy: -46.271 tors. eta vs tors. theta energy: -94.302 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: 7 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1141.055485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.055485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.055485 (E_RNA) where: Base-Base interactions energy: -795.868 where: short stacking energy: -323.106 Base-Backbone interact. energy: -1.402 local terms energy: -343.785628 where: bonds (distance) C4'-P energy: -59.271 bonds (distance) P-C4' energy: -64.611 flat angles C4'-P-C4' energy: -77.656 flat angles P-C4'-P energy: -57.794 tors. eta vs tors. theta energy: -84.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -807.606781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.606781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.606781 (E_RNA) where: Base-Base interactions energy: -506.707 where: short stacking energy: -249.443 Base-Backbone interact. energy: 1.411 local terms energy: -302.310243 where: bonds (distance) C4'-P energy: -68.350 bonds (distance) P-C4' energy: -65.669 flat angles C4'-P-C4' energy: -77.893 flat angles P-C4'-P energy: -40.453 tors. eta vs tors. theta energy: -49.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -434.340883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.340883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.340883 (E_RNA) where: Base-Base interactions energy: -198.061 where: short stacking energy: -128.380 Base-Backbone interact. energy: -3.114 local terms energy: -233.165841 where: bonds (distance) C4'-P energy: -63.357 bonds (distance) P-C4' energy: -73.359 flat angles C4'-P-C4' energy: -65.246 flat angles P-C4'-P energy: -26.662 tors. eta vs tors. theta energy: -4.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1594.093888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.093888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.093888 (E_RNA) where: Base-Base interactions energy: -1135.614 where: short stacking energy: -450.305 Base-Backbone interact. energy: -0.725 local terms energy: -457.754911 where: bonds (distance) C4'-P energy: -79.556 bonds (distance) P-C4' energy: -83.620 flat angles C4'-P-C4' energy: -100.116 flat angles P-C4'-P energy: -68.647 tors. eta vs tors. theta energy: -125.816 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: 1 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1535.745501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.745501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.745501 (E_RNA) where: Base-Base interactions energy: -1098.900 where: short stacking energy: -445.529 Base-Backbone interact. energy: -1.833 local terms energy: -435.012474 where: bonds (distance) C4'-P energy: -87.778 bonds (distance) P-C4' energy: -77.305 flat angles C4'-P-C4' energy: -95.616 flat angles P-C4'-P energy: -59.045 tors. eta vs tors. theta energy: -115.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1443.789824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.789824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.789824 (E_RNA) where: Base-Base interactions energy: -1018.829 where: short stacking energy: -440.385 Base-Backbone interact. energy: -0.597 local terms energy: -424.363756 where: bonds (distance) C4'-P energy: -83.059 bonds (distance) P-C4' energy: -76.746 flat angles C4'-P-C4' energy: -77.360 flat angles P-C4'-P energy: -63.895 tors. eta vs tors. theta energy: -123.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -1392.726121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.726121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.726121 (E_RNA) where: Base-Base interactions energy: -960.684 where: short stacking energy: -424.265 Base-Backbone interact. energy: -1.660 local terms energy: -430.382150 where: bonds (distance) C4'-P energy: -71.884 bonds (distance) P-C4' energy: -78.742 flat angles C4'-P-C4' energy: -95.129 flat angles P-C4'-P energy: -62.237 tors. eta vs tors. theta energy: -122.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1385.270415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.270415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.270415 (E_RNA) where: Base-Base interactions energy: -975.652 where: short stacking energy: -420.609 Base-Backbone interact. energy: -0.769 local terms energy: -408.848651 where: bonds (distance) C4'-P energy: -72.659 bonds (distance) P-C4' energy: -74.916 flat angles C4'-P-C4' energy: -86.036 flat angles P-C4'-P energy: -58.485 tors. eta vs tors. theta energy: -116.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1250.327108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.327108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.327108 (E_RNA) where: Base-Base interactions energy: -863.277 where: short stacking energy: -378.720 Base-Backbone interact. energy: -0.886 local terms energy: -386.164339 where: bonds (distance) C4'-P energy: -75.660 bonds (distance) P-C4' energy: -70.849 flat angles C4'-P-C4' energy: -78.007 flat angles P-C4'-P energy: -56.088 tors. eta vs tors. theta energy: -105.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1249.524810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.524810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.524810 (E_RNA) where: Base-Base interactions energy: -878.976 where: short stacking energy: -349.155 Base-Backbone interact. energy: -3.065 local terms energy: -367.484288 where: bonds (distance) C4'-P energy: -71.035 bonds (distance) P-C4' energy: -72.947 flat angles C4'-P-C4' energy: -79.636 flat angles P-C4'-P energy: -45.102 tors. eta vs tors. theta energy: -98.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1163.695972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.695972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.695972 (E_RNA) where: Base-Base interactions energy: -810.200 where: short stacking energy: -348.278 Base-Backbone interact. energy: -1.419 local terms energy: -352.077168 where: bonds (distance) C4'-P energy: -71.053 bonds (distance) P-C4' energy: -54.551 flat angles C4'-P-C4' energy: -83.481 flat angles P-C4'-P energy: -51.679 tors. eta vs tors. theta energy: -91.313 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: 9, replica: 5 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -813.108164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.108164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.108164 (E_RNA) where: Base-Base interactions energy: -497.321 where: short stacking energy: -233.432 Base-Backbone interact. energy: -2.630 local terms energy: -313.157261 where: bonds (distance) C4'-P energy: -55.368 bonds (distance) P-C4' energy: -76.784 flat angles C4'-P-C4' energy: -81.567 flat angles P-C4'-P energy: -45.471 tors. eta vs tors. theta energy: -53.968 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: 10, replica: 4 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -461.383175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.383175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.383175 (E_RNA) where: Base-Base interactions energy: -225.453 where: short stacking energy: -120.329 Base-Backbone interact. energy: 1.691 local terms energy: -237.620918 where: bonds (distance) C4'-P energy: -63.578 bonds (distance) P-C4' energy: -64.596 flat angles C4'-P-C4' energy: -74.146 flat angles P-C4'-P energy: -37.607 tors. eta vs tors. theta energy: 2.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1577.151824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.151824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.151824 (E_RNA) where: Base-Base interactions energy: -1123.258 where: short stacking energy: -453.734 Base-Backbone interact. energy: -2.195 local terms energy: -451.699070 where: bonds (distance) C4'-P energy: -77.443 bonds (distance) P-C4' energy: -84.768 flat angles C4'-P-C4' energy: -98.484 flat angles P-C4'-P energy: -66.450 tors. eta vs tors. theta energy: -124.554 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: 1 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1521.031929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.031929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.031929 (E_RNA) where: Base-Base interactions energy: -1077.236 where: short stacking energy: -424.405 Base-Backbone interact. energy: -2.786 local terms energy: -441.010249 where: bonds (distance) C4'-P energy: -85.960 bonds (distance) P-C4' energy: -84.113 flat angles C4'-P-C4' energy: -95.917 flat angles P-C4'-P energy: -65.081 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: 2 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1416.912580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.912580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.912580 (E_RNA) where: Base-Base interactions energy: -977.135 where: short stacking energy: -408.160 Base-Backbone interact. energy: -1.573 local terms energy: -438.204231 where: bonds (distance) C4'-P energy: -87.132 bonds (distance) P-C4' energy: -87.980 flat angles C4'-P-C4' energy: -85.226 flat angles P-C4'-P energy: -60.849 tors. eta vs tors. theta energy: -117.016 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: 10 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1396.454145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.454145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.454145 (E_RNA) where: Base-Base interactions energy: -986.006 where: short stacking energy: -427.141 Base-Backbone interact. energy: -1.164 local terms energy: -409.284477 where: bonds (distance) C4'-P energy: -73.570 bonds (distance) P-C4' energy: -67.570 flat angles C4'-P-C4' energy: -82.319 flat angles P-C4'-P energy: -62.846 tors. eta vs tors. theta energy: -122.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1377.225140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.225140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.225140 (E_RNA) where: Base-Base interactions energy: -956.914 where: short stacking energy: -411.698 Base-Backbone interact. energy: -0.987 local terms energy: -419.324297 where: bonds (distance) C4'-P energy: -77.367 bonds (distance) P-C4' energy: -81.094 flat angles C4'-P-C4' energy: -89.511 flat angles P-C4'-P energy: -55.036 tors. eta vs tors. theta energy: -116.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1238.213140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.213140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.213140 (E_RNA) where: Base-Base interactions energy: -859.464 where: short stacking energy: -368.324 Base-Backbone interact. energy: -0.709 local terms energy: -378.039550 where: bonds (distance) C4'-P energy: -75.543 bonds (distance) P-C4' energy: -74.996 flat angles C4'-P-C4' energy: -82.981 flat angles P-C4'-P energy: -50.929 tors. eta vs tors. theta energy: -93.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1262.802762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.802762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.802762 (E_RNA) where: Base-Base interactions energy: -878.180 where: short stacking energy: -357.368 Base-Backbone interact. energy: -1.077 local terms energy: -383.545321 where: bonds (distance) C4'-P energy: -54.632 bonds (distance) P-C4' energy: -67.537 flat angles C4'-P-C4' energy: -91.268 flat angles P-C4'-P energy: -64.865 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: 8, replica: 7 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1138.527147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.527147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.527147 (E_RNA) where: Base-Base interactions energy: -788.794 where: short stacking energy: -321.437 Base-Backbone interact. energy: -0.690 local terms energy: -349.043341 where: bonds (distance) C4'-P energy: -62.002 bonds (distance) P-C4' energy: -56.484 flat angles C4'-P-C4' energy: -84.822 flat angles P-C4'-P energy: -54.841 tors. eta vs tors. theta energy: -90.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -765.486249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.486249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.486249 (E_RNA) where: Base-Base interactions energy: -476.600 where: short stacking energy: -236.415 Base-Backbone interact. energy: -1.564 local terms energy: -287.322056 where: bonds (distance) C4'-P energy: -61.648 bonds (distance) P-C4' energy: -62.273 flat angles C4'-P-C4' energy: -76.784 flat angles P-C4'-P energy: -39.382 tors. eta vs tors. theta energy: -47.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -497.074234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.074234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.074234 (E_RNA) where: Base-Base interactions energy: -259.582 where: short stacking energy: -147.466 Base-Backbone interact. energy: 1.295 local terms energy: -238.786875 where: bonds (distance) C4'-P energy: -68.153 bonds (distance) P-C4' energy: -72.258 flat angles C4'-P-C4' energy: -67.357 flat angles P-C4'-P energy: -22.123 tors. eta vs tors. theta energy: -8.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1566.817616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.817616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.817616 (E_RNA) where: Base-Base interactions energy: -1102.427 where: short stacking energy: -442.005 Base-Backbone interact. energy: -2.468 local terms energy: -461.922118 where: bonds (distance) C4'-P energy: -88.887 bonds (distance) P-C4' energy: -80.840 flat angles C4'-P-C4' energy: -98.867 flat angles P-C4'-P energy: -68.406 tors. eta vs tors. theta energy: -124.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1496.819078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.819078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.819078 (E_RNA) where: Base-Base interactions energy: -1078.585 where: short stacking energy: -436.025 Base-Backbone interact. energy: 0.652 local terms energy: -418.886685 where: bonds (distance) C4'-P energy: -79.619 bonds (distance) P-C4' energy: -82.584 flat angles C4'-P-C4' energy: -88.381 flat angles P-C4'-P energy: -58.128 tors. eta vs tors. theta energy: -110.175 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: 2 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1448.483635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.483635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.483635 (E_RNA) where: Base-Base interactions energy: -1013.424 where: short stacking energy: -422.877 Base-Backbone interact. energy: -0.446 local terms energy: -434.613168 where: bonds (distance) C4'-P energy: -73.928 bonds (distance) P-C4' energy: -90.747 flat angles C4'-P-C4' energy: -91.661 flat angles P-C4'-P energy: -65.370 tors. eta vs tors. theta energy: -112.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1412.128256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.128256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.128256 (E_RNA) where: Base-Base interactions energy: -955.201 where: short stacking energy: -417.676 Base-Backbone interact. energy: -1.797 local terms energy: -455.130262 where: bonds (distance) C4'-P energy: -84.519 bonds (distance) P-C4' energy: -81.917 flat angles C4'-P-C4' energy: -100.217 flat angles P-C4'-P energy: -64.379 tors. eta vs tors. theta energy: -124.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -1375.652244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.652244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.652244 (E_RNA) where: Base-Base interactions energy: -953.310 where: short stacking energy: -399.509 Base-Backbone interact. energy: -1.385 local terms energy: -420.956477 where: bonds (distance) C4'-P energy: -77.030 bonds (distance) P-C4' energy: -89.462 flat angles C4'-P-C4' energy: -88.226 flat angles P-C4'-P energy: -58.015 tors. eta vs tors. theta energy: -108.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1297.839493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.839493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.839493 (E_RNA) where: Base-Base interactions energy: -902.727 where: short stacking energy: -378.456 Base-Backbone interact. energy: -1.346 local terms energy: -393.766500 where: bonds (distance) C4'-P energy: -74.653 bonds (distance) P-C4' energy: -85.621 flat angles C4'-P-C4' energy: -83.669 flat angles P-C4'-P energy: -54.370 tors. eta vs tors. theta energy: -95.454 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: 7, replica: 9 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1205.274399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.274399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.274399 (E_RNA) where: Base-Base interactions energy: -863.389 where: short stacking energy: -376.748 Base-Backbone interact. energy: 0.499 local terms energy: -342.384357 where: bonds (distance) C4'-P energy: -63.041 bonds (distance) P-C4' energy: -63.644 flat angles C4'-P-C4' energy: -66.733 flat angles P-C4'-P energy: -52.431 tors. eta vs tors. theta energy: -96.535 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: 7 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1130.988977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.988977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.988977 (E_RNA) where: Base-Base interactions energy: -795.974 where: short stacking energy: -347.171 Base-Backbone interact. energy: -1.768 local terms energy: -333.247344 where: bonds (distance) C4'-P energy: -52.146 bonds (distance) P-C4' energy: -70.662 flat angles C4'-P-C4' energy: -69.772 flat angles P-C4'-P energy: -53.018 tors. eta vs tors. theta energy: -87.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -815.934891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.934891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.934891 (E_RNA) where: Base-Base interactions energy: -520.991 where: short stacking energy: -224.884 Base-Backbone interact. energy: -1.584 local terms energy: -293.359808 where: bonds (distance) C4'-P energy: -65.782 bonds (distance) P-C4' energy: -78.939 flat angles C4'-P-C4' energy: -64.171 flat angles P-C4'-P energy: -50.969 tors. eta vs tors. theta energy: -33.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -430.718645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.718645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.718645 (E_RNA) where: Base-Base interactions energy: -211.737 where: short stacking energy: -140.570 Base-Backbone interact. energy: -0.557 local terms energy: -218.425289 where: bonds (distance) C4'-P energy: -62.613 bonds (distance) P-C4' energy: -58.112 flat angles C4'-P-C4' energy: -51.017 flat angles P-C4'-P energy: -46.520 tors. eta vs tors. theta energy: -0.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1596.733250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.733250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.733250 (E_RNA) where: Base-Base interactions energy: -1136.030 where: short stacking energy: -458.427 Base-Backbone interact. energy: -1.207 local terms energy: -459.495614 where: bonds (distance) C4'-P energy: -89.155 bonds (distance) P-C4' energy: -85.604 flat angles C4'-P-C4' energy: -96.119 flat angles P-C4'-P energy: -67.477 tors. eta vs tors. theta energy: -121.140 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: 2, replica: 1 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1503.207848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.207848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.207848 (E_RNA) where: Base-Base interactions energy: -1061.284 where: short stacking energy: -424.733 Base-Backbone interact. energy: 0.426 local terms energy: -442.350436 where: bonds (distance) C4'-P energy: -76.008 bonds (distance) P-C4' energy: -93.710 flat angles C4'-P-C4' energy: -94.851 flat angles P-C4'-P energy: -63.017 tors. eta vs tors. theta energy: -114.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -1434.862128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.862128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.862128 (E_RNA) where: Base-Base interactions energy: -996.342 where: short stacking energy: -421.980 Base-Backbone interact. energy: -3.185 local terms energy: -435.334411 where: bonds (distance) C4'-P energy: -85.702 bonds (distance) P-C4' energy: -75.874 flat angles C4'-P-C4' energy: -91.721 flat angles P-C4'-P energy: -66.213 tors. eta vs tors. theta energy: -115.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1396.193215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.193215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.193215 (E_RNA) where: Base-Base interactions energy: -959.422 where: short stacking energy: -427.786 Base-Backbone interact. energy: -1.971 local terms energy: -434.799659 where: bonds (distance) C4'-P energy: -81.438 bonds (distance) P-C4' energy: -67.411 flat angles C4'-P-C4' energy: -90.944 flat angles P-C4'-P energy: -74.233 tors. eta vs tors. theta energy: -120.774 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: 8 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1381.277537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.277537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.277537 (E_RNA) where: Base-Base interactions energy: -957.583 where: short stacking energy: -412.690 Base-Backbone interact. energy: -2.664 local terms energy: -421.030824 where: bonds (distance) C4'-P energy: -79.677 bonds (distance) P-C4' energy: -83.799 flat angles C4'-P-C4' energy: -81.811 flat angles P-C4'-P energy: -55.381 tors. eta vs tors. theta energy: -120.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1307.058097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.058097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.058097 (E_RNA) where: Base-Base interactions energy: -912.463 where: short stacking energy: -386.723 Base-Backbone interact. energy: -0.095 local terms energy: -394.500022 where: bonds (distance) C4'-P energy: -69.238 bonds (distance) P-C4' energy: -69.702 flat angles C4'-P-C4' energy: -89.605 flat angles P-C4'-P energy: -63.645 tors. eta vs tors. theta energy: -102.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1219.024328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.024328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.024328 (E_RNA) where: Base-Base interactions energy: -851.714 where: short stacking energy: -367.809 Base-Backbone interact. energy: 1.109 local terms energy: -368.419767 where: bonds (distance) C4'-P energy: -58.531 bonds (distance) P-C4' energy: -80.606 flat angles C4'-P-C4' energy: -76.947 flat angles P-C4'-P energy: -55.089 tors. eta vs tors. theta energy: -97.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1099.144481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.144481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.144481 (E_RNA) where: Base-Base interactions energy: -744.611 where: short stacking energy: -331.799 Base-Backbone interact. energy: -2.606 local terms energy: -351.927030 where: bonds (distance) C4'-P energy: -59.117 bonds (distance) P-C4' energy: -78.100 flat angles C4'-P-C4' energy: -73.906 flat angles P-C4'-P energy: -53.158 tors. eta vs tors. theta energy: -87.647 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: 5 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -834.974911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.974911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.974911 (E_RNA) where: Base-Base interactions energy: -507.725 where: short stacking energy: -247.976 Base-Backbone interact. energy: -0.789 local terms energy: -326.460879 where: bonds (distance) C4'-P energy: -80.287 bonds (distance) P-C4' energy: -69.790 flat angles C4'-P-C4' energy: -71.570 flat angles P-C4'-P energy: -57.558 tors. eta vs tors. theta energy: -47.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -469.337630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.337630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.337630 (E_RNA) where: Base-Base interactions energy: -212.752 where: short stacking energy: -147.515 Base-Backbone interact. energy: 1.277 local terms energy: -257.863172 where: bonds (distance) C4'-P energy: -62.489 bonds (distance) P-C4' energy: -74.733 flat angles C4'-P-C4' energy: -69.264 flat angles P-C4'-P energy: -30.514 tors. eta vs tors. theta energy: -20.863 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: 3 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1570.477915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.477915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.477915 (E_RNA) where: Base-Base interactions energy: -1122.651 where: short stacking energy: -431.316 Base-Backbone interact. energy: -1.891 local terms energy: -445.935987 where: bonds (distance) C4'-P energy: -81.955 bonds (distance) P-C4' energy: -89.915 flat angles C4'-P-C4' energy: -93.911 flat angles P-C4'-P energy: -57.496 tors. eta vs tors. theta energy: -122.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1493.541093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.541093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.541093 (E_RNA) where: Base-Base interactions energy: -1049.211 where: short stacking energy: -416.218 Base-Backbone interact. energy: -0.947 local terms energy: -443.383291 where: bonds (distance) C4'-P energy: -81.803 bonds (distance) P-C4' energy: -92.709 flat angles C4'-P-C4' energy: -95.555 flat angles P-C4'-P energy: -64.516 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: 3, replica: 2 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1428.064123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.064123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.064123 (E_RNA) where: Base-Base interactions energy: -988.698 where: short stacking energy: -409.710 Base-Backbone interact. energy: -0.942 local terms energy: -438.424353 where: bonds (distance) C4'-P energy: -84.689 bonds (distance) P-C4' energy: -78.287 flat angles C4'-P-C4' energy: -97.214 flat angles P-C4'-P energy: -61.842 tors. eta vs tors. theta energy: -116.393 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: 10 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1419.797088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.797088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.797088 (E_RNA) where: Base-Base interactions energy: -966.016 where: short stacking energy: -435.925 Base-Backbone interact. energy: -0.306 local terms energy: -453.475210 where: bonds (distance) C4'-P energy: -72.212 bonds (distance) P-C4' energy: -90.125 flat angles C4'-P-C4' energy: -89.354 flat angles P-C4'-P energy: -70.357 tors. eta vs tors. theta energy: -131.427 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: 8 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -1375.683122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.683122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.683122 (E_RNA) where: Base-Base interactions energy: -961.108 where: short stacking energy: -397.099 Base-Backbone interact. energy: 2.991 local terms energy: -417.565549 where: bonds (distance) C4'-P energy: -76.594 bonds (distance) P-C4' energy: -76.839 flat angles C4'-P-C4' energy: -94.323 flat angles P-C4'-P energy: -57.963 tors. eta vs tors. theta energy: -111.847 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: 6 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -1304.687311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.687311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.687311 (E_RNA) where: Base-Base interactions energy: -932.529 where: short stacking energy: -380.511 Base-Backbone interact. energy: -0.048 local terms energy: -372.109810 where: bonds (distance) C4'-P energy: -63.386 bonds (distance) P-C4' energy: -66.870 flat angles C4'-P-C4' energy: -85.633 flat angles P-C4'-P energy: -46.475 tors. eta vs tors. theta energy: -109.746 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: 7, replica: 9 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1248.661405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.661405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.661405 (E_RNA) where: Base-Base interactions energy: -875.170 where: short stacking energy: -359.754 Base-Backbone interact. energy: -0.494 local terms energy: -372.997574 where: bonds (distance) C4'-P energy: -71.246 bonds (distance) P-C4' energy: -76.410 flat angles C4'-P-C4' energy: -85.887 flat angles P-C4'-P energy: -52.440 tors. eta vs tors. theta energy: -87.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1100.889076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.889076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.889076 (E_RNA) where: Base-Base interactions energy: -758.465 where: short stacking energy: -329.458 Base-Backbone interact. energy: 0.565 local terms energy: -342.988274 where: bonds (distance) C4'-P energy: -65.270 bonds (distance) P-C4' energy: -75.565 flat angles C4'-P-C4' energy: -72.711 flat angles P-C4'-P energy: -50.498 tors. eta vs tors. theta energy: -78.944 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: 5 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -789.300444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.300444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.300444 (E_RNA) where: Base-Base interactions energy: -490.461 where: short stacking energy: -254.376 Base-Backbone interact. energy: 0.790 local terms energy: -299.629692 where: bonds (distance) C4'-P energy: -62.984 bonds (distance) P-C4' energy: -70.412 flat angles C4'-P-C4' energy: -75.876 flat angles P-C4'-P energy: -39.800 tors. eta vs tors. theta energy: -50.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -428.932882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.932882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.932882 (E_RNA) where: Base-Base interactions energy: -205.419 where: short stacking energy: -135.047 Base-Backbone interact. energy: -0.174 local terms energy: -223.339203 where: bonds (distance) C4'-P energy: -63.673 bonds (distance) P-C4' energy: -64.900 flat angles C4'-P-C4' energy: -64.785 flat angles P-C4'-P energy: -42.384 tors. eta vs tors. theta energy: 12.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1573.049376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.049376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.049376 (E_RNA) where: Base-Base interactions energy: -1121.768 where: short stacking energy: -450.541 Base-Backbone interact. energy: -3.247 local terms energy: -448.034269 where: bonds (distance) C4'-P energy: -86.665 bonds (distance) P-C4' energy: -86.494 flat angles C4'-P-C4' energy: -91.286 flat angles P-C4'-P energy: -57.088 tors. eta vs tors. theta energy: -126.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1469.371771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.371771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.371771 (E_RNA) where: Base-Base interactions energy: -1033.715 where: short stacking energy: -411.455 Base-Backbone interact. energy: -2.244 local terms energy: -433.413105 where: bonds (distance) C4'-P energy: -78.794 bonds (distance) P-C4' energy: -85.582 flat angles C4'-P-C4' energy: -100.285 flat angles P-C4'-P energy: -63.605 tors. eta vs tors. theta energy: -105.147 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: 10 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1431.909533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.909533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.909533 (E_RNA) where: Base-Base interactions energy: -997.032 where: short stacking energy: -438.537 Base-Backbone interact. energy: -0.897 local terms energy: -433.980157 where: bonds (distance) C4'-P energy: -80.589 bonds (distance) P-C4' energy: -71.510 flat angles C4'-P-C4' energy: -94.608 flat angles P-C4'-P energy: -57.143 tors. eta vs tors. theta energy: -130.131 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: 2 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1403.122130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.122130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.122130 (E_RNA) where: Base-Base interactions energy: -963.782 where: short stacking energy: -423.566 Base-Backbone interact. energy: -1.062 local terms energy: -438.277468 where: bonds (distance) C4'-P energy: -80.051 bonds (distance) P-C4' energy: -85.038 flat angles C4'-P-C4' energy: -93.767 flat angles P-C4'-P energy: -62.451 tors. eta vs tors. theta energy: -116.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1372.103932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.103932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.103932 (E_RNA) where: Base-Base interactions energy: -952.195 where: short stacking energy: -415.547 Base-Backbone interact. energy: -1.138 local terms energy: -418.770956 where: bonds (distance) C4'-P energy: -74.896 bonds (distance) P-C4' energy: -73.082 flat angles C4'-P-C4' energy: -83.861 flat angles P-C4'-P energy: -61.629 tors. eta vs tors. theta energy: -125.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -1255.379315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.379315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.379315 (E_RNA) where: Base-Base interactions energy: -855.527 where: short stacking energy: -356.534 Base-Backbone interact. energy: -1.511 local terms energy: -398.340527 where: bonds (distance) C4'-P energy: -75.967 bonds (distance) P-C4' energy: -93.788 flat angles C4'-P-C4' energy: -85.881 flat angles P-C4'-P energy: -47.470 tors. eta vs tors. theta energy: -95.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1179.527380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.527380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.527380 (E_RNA) where: Base-Base interactions energy: -827.073 where: short stacking energy: -339.503 Base-Backbone interact. energy: 0.063 local terms energy: -352.517072 where: bonds (distance) C4'-P energy: -71.299 bonds (distance) P-C4' energy: -77.473 flat angles C4'-P-C4' energy: -81.180 flat angles P-C4'-P energy: -42.299 tors. eta vs tors. theta energy: -80.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1114.779116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.779116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.779116 (E_RNA) where: Base-Base interactions energy: -741.116 where: short stacking energy: -315.627 Base-Backbone interact. energy: -1.732 local terms energy: -371.930798 where: bonds (distance) C4'-P energy: -69.681 bonds (distance) P-C4' energy: -71.547 flat angles C4'-P-C4' energy: -77.318 flat angles P-C4'-P energy: -61.714 tors. eta vs tors. theta energy: -91.671 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: 5 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -764.236819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.236819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.236819 (E_RNA) where: Base-Base interactions energy: -471.337 where: short stacking energy: -210.145 Base-Backbone interact. energy: 2.967 local terms energy: -295.866447 where: bonds (distance) C4'-P energy: -67.903 bonds (distance) P-C4' energy: -79.328 flat angles C4'-P-C4' energy: -67.048 flat angles P-C4'-P energy: -47.483 tors. eta vs tors. theta energy: -34.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -462.121053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.121053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.121053 (E_RNA) where: Base-Base interactions energy: -220.652 where: short stacking energy: -138.854 Base-Backbone interact. energy: -0.205 local terms energy: -241.264194 where: bonds (distance) C4'-P energy: -65.576 bonds (distance) P-C4' energy: -65.619 flat angles C4'-P-C4' energy: -60.831 flat angles P-C4'-P energy: -44.063 tors. eta vs tors. theta energy: -5.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1581.005631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.005631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.005631 (E_RNA) where: Base-Base interactions energy: -1116.558 where: short stacking energy: -455.710 Base-Backbone interact. energy: -2.385 local terms energy: -462.062609 where: bonds (distance) C4'-P energy: -85.785 bonds (distance) P-C4' energy: -84.633 flat angles C4'-P-C4' energy: -99.780 flat angles P-C4'-P energy: -66.848 tors. eta vs tors. theta energy: -125.016 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: 1 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1490.827723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.827723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.827723 (E_RNA) where: Base-Base interactions energy: -1055.412 where: short stacking energy: -405.721 Base-Backbone interact. energy: -0.102 local terms energy: -435.314488 where: bonds (distance) C4'-P energy: -84.989 bonds (distance) P-C4' energy: -86.923 flat angles C4'-P-C4' energy: -92.716 flat angles P-C4'-P energy: -61.716 tors. eta vs tors. theta energy: -108.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1444.173620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.173620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.173620 (E_RNA) where: Base-Base interactions energy: -997.348 where: short stacking energy: -441.316 Base-Backbone interact. energy: -0.787 local terms energy: -446.038664 where: bonds (distance) C4'-P energy: -79.155 bonds (distance) P-C4' energy: -83.904 flat angles C4'-P-C4' energy: -92.458 flat angles P-C4'-P energy: -57.377 tors. eta vs tors. theta energy: -133.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1424.163705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.163705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.163705 (E_RNA) where: Base-Base interactions energy: -1006.651 where: short stacking energy: -421.540 Base-Backbone interact. energy: -1.442 local terms energy: -416.071051 where: bonds (distance) C4'-P energy: -76.796 bonds (distance) P-C4' energy: -68.827 flat angles C4'-P-C4' energy: -101.209 flat angles P-C4'-P energy: -58.588 tors. eta vs tors. theta energy: -110.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1393.148707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.148707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.148707 (E_RNA) where: Base-Base interactions energy: -962.571 where: short stacking energy: -413.440 Base-Backbone interact. energy: -1.694 local terms energy: -428.883594 where: bonds (distance) C4'-P energy: -80.624 bonds (distance) P-C4' energy: -88.196 flat angles C4'-P-C4' energy: -91.500 flat angles P-C4'-P energy: -55.713 tors. eta vs tors. theta energy: -112.851 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: 6 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1264.212488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.212488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.212488 (E_RNA) where: Base-Base interactions energy: -863.528 where: short stacking energy: -382.923 Base-Backbone interact. energy: -0.660 local terms energy: -400.024427 where: bonds (distance) C4'-P energy: -69.305 bonds (distance) P-C4' energy: -77.939 flat angles C4'-P-C4' energy: -91.261 flat angles P-C4'-P energy: -58.710 tors. eta vs tors. theta energy: -102.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1186.700737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.700737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.700737 (E_RNA) where: Base-Base interactions energy: -818.028 where: short stacking energy: -342.742 Base-Backbone interact. energy: 0.670 local terms energy: -369.342169 where: bonds (distance) C4'-P energy: -77.886 bonds (distance) P-C4' energy: -75.945 flat angles C4'-P-C4' energy: -76.039 flat angles P-C4'-P energy: -56.311 tors. eta vs tors. theta energy: -83.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1086.985219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.985219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.985219 (E_RNA) where: Base-Base interactions energy: -751.393 where: short stacking energy: -337.299 Base-Backbone interact. energy: -1.279 local terms energy: -334.313552 where: bonds (distance) C4'-P energy: -54.098 bonds (distance) P-C4' energy: -76.162 flat angles C4'-P-C4' energy: -70.730 flat angles P-C4'-P energy: -46.841 tors. eta vs tors. theta energy: -86.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -782.440324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.440324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.440324 (E_RNA) where: Base-Base interactions energy: -501.009 where: short stacking energy: -206.162 Base-Backbone interact. energy: 0.925 local terms energy: -282.356234 where: bonds (distance) C4'-P energy: -56.902 bonds (distance) P-C4' energy: -69.435 flat angles C4'-P-C4' energy: -73.035 flat angles P-C4'-P energy: -48.818 tors. eta vs tors. theta energy: -34.166 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: 4 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -476.548796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.548796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.548796 (E_RNA) where: Base-Base interactions energy: -226.720 where: short stacking energy: -122.039 Base-Backbone interact. energy: 5.368 local terms energy: -255.196113 where: bonds (distance) C4'-P energy: -69.940 bonds (distance) P-C4' energy: -74.716 flat angles C4'-P-C4' energy: -62.740 flat angles P-C4'-P energy: -40.391 tors. eta vs tors. theta energy: -7.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1569.457455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.457455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.457455 (E_RNA) where: Base-Base interactions energy: -1107.173 where: short stacking energy: -446.260 Base-Backbone interact. energy: -1.455 local terms energy: -460.830264 where: bonds (distance) C4'-P energy: -84.387 bonds (distance) P-C4' energy: -83.847 flat angles C4'-P-C4' energy: -98.130 flat angles P-C4'-P energy: -67.685 tors. eta vs tors. theta energy: -126.781 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: 436 Temperature: 0.950000 Total energy: -1504.575369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.575369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.575369 (E_RNA) where: Base-Base interactions energy: -1060.336 where: short stacking energy: -442.286 Base-Backbone interact. energy: -2.104 local terms energy: -442.135634 where: bonds (distance) C4'-P energy: -70.908 bonds (distance) P-C4' energy: -76.129 flat angles C4'-P-C4' energy: -108.988 flat angles P-C4'-P energy: -66.322 tors. eta vs tors. theta energy: -119.789 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: 2 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1448.189318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.189318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.189318 (E_RNA) where: Base-Base interactions energy: -1035.618 where: short stacking energy: -427.968 Base-Backbone interact. energy: 0.108 local terms energy: -412.678714 where: bonds (distance) C4'-P energy: -81.449 bonds (distance) P-C4' energy: -84.589 flat angles C4'-P-C4' energy: -89.192 flat angles P-C4'-P energy: -46.653 tors. eta vs tors. theta energy: -110.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1404.959608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.959608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.959608 (E_RNA) where: Base-Base interactions energy: -971.128 where: short stacking energy: -412.258 Base-Backbone interact. energy: 0.663 local terms energy: -434.494735 where: bonds (distance) C4'-P energy: -83.716 bonds (distance) P-C4' energy: -82.603 flat angles C4'-P-C4' energy: -90.150 flat angles P-C4'-P energy: -57.901 tors. eta vs tors. theta energy: -120.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1346.490522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.490522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.490522 (E_RNA) where: Base-Base interactions energy: -931.901 where: short stacking energy: -396.707 Base-Backbone interact. energy: -0.898 local terms energy: -413.691560 where: bonds (distance) C4'-P energy: -86.041 bonds (distance) P-C4' energy: -80.937 flat angles C4'-P-C4' energy: -83.451 flat angles P-C4'-P energy: -54.839 tors. eta vs tors. theta energy: -108.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1247.001476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.001476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.001476 (E_RNA) where: Base-Base interactions energy: -864.416 where: short stacking energy: -360.244 Base-Backbone interact. energy: -1.079 local terms energy: -381.506745 where: bonds (distance) C4'-P energy: -71.140 bonds (distance) P-C4' energy: -65.602 flat angles C4'-P-C4' energy: -94.010 flat angles P-C4'-P energy: -56.526 tors. eta vs tors. theta energy: -94.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1199.266912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.266912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.266912 (E_RNA) where: Base-Base interactions energy: -827.749 where: short stacking energy: -320.535 Base-Backbone interact. energy: -1.710 local terms energy: -369.807808 where: bonds (distance) C4'-P energy: -66.095 bonds (distance) P-C4' energy: -80.102 flat angles C4'-P-C4' energy: -83.199 flat angles P-C4'-P energy: -47.946 tors. eta vs tors. theta energy: -92.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1079.236707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.236707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.236707 (E_RNA) where: Base-Base interactions energy: -756.230 where: short stacking energy: -320.658 Base-Backbone interact. energy: -2.706 local terms energy: -320.300452 where: bonds (distance) C4'-P energy: -62.992 bonds (distance) P-C4' energy: -59.799 flat angles C4'-P-C4' energy: -72.042 flat angles P-C4'-P energy: -54.671 tors. eta vs tors. theta energy: -70.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -783.557502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.557502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.557502 (E_RNA) where: Base-Base interactions energy: -468.141 where: short stacking energy: -230.098 Base-Backbone interact. energy: -3.595 local terms energy: -311.821841 where: bonds (distance) C4'-P energy: -73.497 bonds (distance) P-C4' energy: -75.993 flat angles C4'-P-C4' energy: -73.949 flat angles P-C4'-P energy: -45.394 tors. eta vs tors. theta energy: -42.988 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: 4 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -525.446668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.446668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.446668 (E_RNA) where: Base-Base interactions energy: -278.031 where: short stacking energy: -174.326 Base-Backbone interact. energy: -0.609 local terms energy: -246.807496 where: bonds (distance) C4'-P energy: -67.019 bonds (distance) P-C4' energy: -84.103 flat angles C4'-P-C4' energy: -44.945 flat angles P-C4'-P energy: -37.256 tors. eta vs tors. theta energy: -13.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1579.147723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.147723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.147723 (E_RNA) where: Base-Base interactions energy: -1118.740 where: short stacking energy: -451.075 Base-Backbone interact. energy: -0.600 local terms energy: -459.807526 where: bonds (distance) C4'-P energy: -81.914 bonds (distance) P-C4' energy: -79.271 flat angles C4'-P-C4' energy: -95.934 flat angles P-C4'-P energy: -72.637 tors. eta vs tors. theta energy: -130.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1529.706249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.706249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.706249 (E_RNA) where: Base-Base interactions energy: -1090.298 where: short stacking energy: -468.405 Base-Backbone interact. energy: 3.289 local terms energy: -442.697523 where: bonds (distance) C4'-P energy: -82.851 bonds (distance) P-C4' energy: -75.264 flat angles C4'-P-C4' energy: -95.447 flat angles P-C4'-P energy: -62.292 tors. eta vs tors. theta energy: -126.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1450.342363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.342363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.342363 (E_RNA) where: Base-Base interactions energy: -1011.737 where: short stacking energy: -444.918 Base-Backbone interact. energy: -0.181 local terms energy: -438.424181 where: bonds (distance) C4'-P energy: -75.297 bonds (distance) P-C4' energy: -87.188 flat angles C4'-P-C4' energy: -94.934 flat angles P-C4'-P energy: -61.278 tors. eta vs tors. theta energy: -119.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1393.177534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.177534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.177534 (E_RNA) where: Base-Base interactions energy: -992.498 where: short stacking energy: -446.425 Base-Backbone interact. energy: -1.702 local terms energy: -398.977339 where: bonds (distance) C4'-P energy: -72.559 bonds (distance) P-C4' energy: -79.539 flat angles C4'-P-C4' energy: -80.622 flat angles P-C4'-P energy: -52.328 tors. eta vs tors. theta energy: -113.929 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: 5, replica: 10 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1367.797592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.797592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.797592 (E_RNA) where: Base-Base interactions energy: -957.593 where: short stacking energy: -404.612 Base-Backbone interact. energy: -1.732 local terms energy: -408.472236 where: bonds (distance) C4'-P energy: -72.981 bonds (distance) P-C4' energy: -65.470 flat angles C4'-P-C4' energy: -90.740 flat angles P-C4'-P energy: -57.736 tors. eta vs tors. theta energy: -121.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -1254.095500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.095500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.095500 (E_RNA) where: Base-Base interactions energy: -891.681 where: short stacking energy: -368.560 Base-Backbone interact. energy: 1.193 local terms energy: -363.607556 where: bonds (distance) C4'-P energy: -58.830 bonds (distance) P-C4' energy: -66.665 flat angles C4'-P-C4' energy: -86.531 flat angles P-C4'-P energy: -51.608 tors. eta vs tors. theta energy: -99.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1235.751418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.751418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.751418 (E_RNA) where: Base-Base interactions energy: -865.806 where: short stacking energy: -387.749 Base-Backbone interact. energy: -2.270 local terms energy: -367.675216 where: bonds (distance) C4'-P energy: -64.886 bonds (distance) P-C4' energy: -58.650 flat angles C4'-P-C4' energy: -88.553 flat angles P-C4'-P energy: -48.726 tors. eta vs tors. theta energy: -106.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1087.645896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.645896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.645896 (E_RNA) where: Base-Base interactions energy: -718.480 where: short stacking energy: -309.787 Base-Backbone interact. energy: 1.574 local terms energy: -370.739911 where: bonds (distance) C4'-P energy: -80.974 bonds (distance) P-C4' energy: -73.077 flat angles C4'-P-C4' energy: -74.884 flat angles P-C4'-P energy: -54.928 tors. eta vs tors. theta energy: -86.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -788.514976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.514976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.514976 (E_RNA) where: Base-Base interactions energy: -500.183 where: short stacking energy: -238.448 Base-Backbone interact. energy: -2.141 local terms energy: -286.191029 where: bonds (distance) C4'-P energy: -60.893 bonds (distance) P-C4' energy: -66.303 flat angles C4'-P-C4' energy: -71.383 flat angles P-C4'-P energy: -45.641 tors. eta vs tors. theta energy: -41.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -440.367726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.367726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.367726 (E_RNA) where: Base-Base interactions energy: -218.934 where: short stacking energy: -135.461 Base-Backbone interact. energy: 1.196 local terms energy: -222.629446 where: bonds (distance) C4'-P energy: -59.286 bonds (distance) P-C4' energy: -72.873 flat angles C4'-P-C4' energy: -59.715 flat angles P-C4'-P energy: -36.670 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: 3 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1563.403089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.403089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.403089 (E_RNA) where: Base-Base interactions energy: -1105.275 where: short stacking energy: -445.056 Base-Backbone interact. energy: -0.811 local terms energy: -457.317113 where: bonds (distance) C4'-P energy: -84.141 bonds (distance) P-C4' energy: -80.476 flat angles C4'-P-C4' energy: -105.793 flat angles P-C4'-P energy: -62.227 tors. eta vs tors. theta energy: -124.680 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: 1 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1510.622463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.622463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.622463 (E_RNA) where: Base-Base interactions energy: -1080.592 where: short stacking energy: -447.483 Base-Backbone interact. energy: -3.209 local terms energy: -426.821411 where: bonds (distance) C4'-P energy: -75.488 bonds (distance) P-C4' energy: -80.608 flat angles C4'-P-C4' energy: -89.027 flat angles P-C4'-P energy: -62.405 tors. eta vs tors. theta energy: -119.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1459.361733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.361733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.361733 (E_RNA) where: Base-Base interactions energy: -1039.118 where: short stacking energy: -440.948 Base-Backbone interact. energy: 0.402 local terms energy: -420.645623 where: bonds (distance) C4'-P energy: -66.902 bonds (distance) P-C4' energy: -89.084 flat angles C4'-P-C4' energy: -92.429 flat angles P-C4'-P energy: -60.348 tors. eta vs tors. theta energy: -111.882 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: 4, replica: 8 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1379.616322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.616322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.616322 (E_RNA) where: Base-Base interactions energy: -963.132 where: short stacking energy: -411.199 Base-Backbone interact. energy: -2.690 local terms energy: -413.793838 where: bonds (distance) C4'-P energy: -83.480 bonds (distance) P-C4' energy: -81.494 flat angles C4'-P-C4' energy: -90.149 flat angles P-C4'-P energy: -60.043 tors. eta vs tors. theta energy: -98.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -1344.972940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.972940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.972940 (E_RNA) where: Base-Base interactions energy: -922.550 where: short stacking energy: -407.804 Base-Backbone interact. energy: -1.796 local terms energy: -420.626545 where: bonds (distance) C4'-P energy: -84.235 bonds (distance) P-C4' energy: -73.702 flat angles C4'-P-C4' energy: -84.451 flat angles P-C4'-P energy: -64.192 tors. eta vs tors. theta energy: -114.046 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: 6 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1252.272434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.272434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.272434 (E_RNA) where: Base-Base interactions energy: -885.581 where: short stacking energy: -380.881 Base-Backbone interact. energy: -0.123 local terms energy: -366.568071 where: bonds (distance) C4'-P energy: -55.646 bonds (distance) P-C4' energy: -73.482 flat angles C4'-P-C4' energy: -83.334 flat angles P-C4'-P energy: -52.843 tors. eta vs tors. theta energy: -101.263 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: 7, replica: 9 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1249.935776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.935776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.935776 (E_RNA) where: Base-Base interactions energy: -881.987 where: short stacking energy: -382.366 Base-Backbone interact. energy: 0.204 local terms energy: -368.152871 where: bonds (distance) C4'-P energy: -56.848 bonds (distance) P-C4' energy: -69.817 flat angles C4'-P-C4' energy: -88.118 flat angles P-C4'-P energy: -46.081 tors. eta vs tors. theta energy: -107.289 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: 7 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1109.079707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.079707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.079707 (E_RNA) where: Base-Base interactions energy: -753.132 where: short stacking energy: -325.224 Base-Backbone interact. energy: -0.760 local terms energy: -355.187462 where: bonds (distance) C4'-P energy: -65.033 bonds (distance) P-C4' energy: -60.263 flat angles C4'-P-C4' energy: -85.990 flat angles P-C4'-P energy: -52.984 tors. eta vs tors. theta energy: -90.918 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: 5 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -809.694608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.694608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.694608 (E_RNA) where: Base-Base interactions energy: -509.856 where: short stacking energy: -261.186 Base-Backbone interact. energy: 0.279 local terms energy: -300.117404 where: bonds (distance) C4'-P energy: -60.875 bonds (distance) P-C4' energy: -58.799 flat angles C4'-P-C4' energy: -61.025 flat angles P-C4'-P energy: -55.569 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: 10, replica: 4 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -464.046535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.046535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.046535 (E_RNA) where: Base-Base interactions energy: -215.977 where: short stacking energy: -147.950 Base-Backbone interact. energy: -0.795 local terms energy: -247.274565 where: bonds (distance) C4'-P energy: -62.096 bonds (distance) P-C4' energy: -85.672 flat angles C4'-P-C4' energy: -58.486 flat angles P-C4'-P energy: -31.019 tors. eta vs tors. theta energy: -10.003 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: 1, replica: 3 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1581.587618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.587618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.587618 (E_RNA) where: Base-Base interactions energy: -1124.295 where: short stacking energy: -448.408 Base-Backbone interact. energy: -3.129 local terms energy: -454.164011 where: bonds (distance) C4'-P energy: -88.506 bonds (distance) P-C4' energy: -84.811 flat angles C4'-P-C4' energy: -90.344 flat angles P-C4'-P energy: -66.411 tors. eta vs tors. theta energy: -124.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1491.728008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.728008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.728008 (E_RNA) where: Base-Base interactions energy: -1045.015 where: short stacking energy: -474.949 Base-Backbone interact. energy: -1.037 local terms energy: -445.675551 where: bonds (distance) C4'-P energy: -79.318 bonds (distance) P-C4' energy: -77.674 flat angles C4'-P-C4' energy: -96.404 flat angles P-C4'-P energy: -68.185 tors. eta vs tors. theta energy: -124.094 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: 3, replica: 1 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1481.145374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.145374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.145374 (E_RNA) where: Base-Base interactions energy: -1030.320 where: short stacking energy: -425.672 Base-Backbone interact. energy: -4.439 local terms energy: -446.386533 where: bonds (distance) C4'-P energy: -74.233 bonds (distance) P-C4' energy: -79.719 flat angles C4'-P-C4' energy: -104.415 flat angles P-C4'-P energy: -70.948 tors. eta vs tors. theta energy: -117.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1412.344012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.344012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.344012 (E_RNA) where: Base-Base interactions energy: -986.022 where: short stacking energy: -424.595 Base-Backbone interact. energy: 0.987 local terms energy: -427.309201 where: bonds (distance) C4'-P energy: -74.908 bonds (distance) P-C4' energy: -81.553 flat angles C4'-P-C4' energy: -96.947 flat angles P-C4'-P energy: -52.048 tors. eta vs tors. theta energy: -121.854 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: 5, replica: 10 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -1348.323512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.323512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.323512 (E_RNA) where: Base-Base interactions energy: -956.996 where: short stacking energy: -417.682 Base-Backbone interact. energy: -1.556 local terms energy: -389.771425 where: bonds (distance) C4'-P energy: -56.139 bonds (distance) P-C4' energy: -73.804 flat angles C4'-P-C4' energy: -87.066 flat angles P-C4'-P energy: -56.895 tors. eta vs tors. theta energy: -115.868 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: 439 Temperature: 1.150000 Total energy: -1306.735678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.735678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.735678 (E_RNA) where: Base-Base interactions energy: -913.198 where: short stacking energy: -387.003 Base-Backbone interact. energy: -1.483 local terms energy: -392.054631 where: bonds (distance) C4'-P energy: -73.115 bonds (distance) P-C4' energy: -64.792 flat angles C4'-P-C4' energy: -87.392 flat angles P-C4'-P energy: -64.382 tors. eta vs tors. theta energy: -102.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1224.592427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.592427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.592427 (E_RNA) where: Base-Base interactions energy: -853.140 where: short stacking energy: -354.134 Base-Backbone interact. energy: -0.150 local terms energy: -371.302760 where: bonds (distance) C4'-P energy: -58.579 bonds (distance) P-C4' energy: -69.465 flat angles C4'-P-C4' energy: -86.818 flat angles P-C4'-P energy: -56.564 tors. eta vs tors. theta energy: -99.877 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: 7 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1159.165771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.165771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.165771 (E_RNA) where: Base-Base interactions energy: -800.519 where: short stacking energy: -333.018 Base-Backbone interact. energy: 0.623 local terms energy: -359.269940 where: bonds (distance) C4'-P energy: -65.163 bonds (distance) P-C4' energy: -78.554 flat angles C4'-P-C4' energy: -85.451 flat angles P-C4'-P energy: -39.839 tors. eta vs tors. theta energy: -90.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -787.441893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.441893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.441893 (E_RNA) where: Base-Base interactions energy: -505.489 where: short stacking energy: -207.524 Base-Backbone interact. energy: -2.500 local terms energy: -279.453040 where: bonds (distance) C4'-P energy: -53.692 bonds (distance) P-C4' energy: -72.939 flat angles C4'-P-C4' energy: -63.532 flat angles P-C4'-P energy: -64.822 tors. eta vs tors. theta energy: -24.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -477.922440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.922440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.922440 (E_RNA) where: Base-Base interactions energy: -257.502 where: short stacking energy: -135.236 Base-Backbone interact. energy: -2.958 local terms energy: -217.462630 where: bonds (distance) C4'-P energy: -75.145 bonds (distance) P-C4' energy: -64.999 flat angles C4'-P-C4' energy: -57.698 flat angles P-C4'-P energy: -27.318 tors. eta vs tors. theta energy: 7.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1573.876433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.876433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.876433 (E_RNA) where: Base-Base interactions energy: -1103.992 where: short stacking energy: -447.533 Base-Backbone interact. energy: -2.505 local terms energy: -467.378940 where: bonds (distance) C4'-P energy: -88.557 bonds (distance) P-C4' energy: -89.242 flat angles C4'-P-C4' energy: -95.132 flat angles P-C4'-P energy: -64.188 tors. eta vs tors. theta energy: -130.261 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: 2 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1488.575490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.575490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.575490 (E_RNA) where: Base-Base interactions energy: -1039.249 where: short stacking energy: -443.075 Base-Backbone interact. energy: -3.895 local terms energy: -445.431914 where: bonds (distance) C4'-P energy: -78.386 bonds (distance) P-C4' energy: -86.147 flat angles C4'-P-C4' energy: -98.020 flat angles P-C4'-P energy: -54.609 tors. eta vs tors. theta energy: -128.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1483.817416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.817416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.817416 (E_RNA) where: Base-Base interactions energy: -1043.577 where: short stacking energy: -430.520 Base-Backbone interact. energy: 0.104 local terms energy: -440.344910 where: bonds (distance) C4'-P energy: -82.593 bonds (distance) P-C4' energy: -81.743 flat angles C4'-P-C4' energy: -96.197 flat angles P-C4'-P energy: -59.875 tors. eta vs tors. theta energy: -119.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1386.484928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.484928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.484928 (E_RNA) where: Base-Base interactions energy: -976.384 where: short stacking energy: -414.436 Base-Backbone interact. energy: -0.651 local terms energy: -409.449884 where: bonds (distance) C4'-P energy: -76.703 bonds (distance) P-C4' energy: -81.546 flat angles C4'-P-C4' energy: -91.189 flat angles P-C4'-P energy: -48.226 tors. eta vs tors. theta energy: -111.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1329.502297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.502297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.502297 (E_RNA) where: Base-Base interactions energy: -912.151 where: short stacking energy: -388.072 Base-Backbone interact. energy: -2.737 local terms energy: -414.613763 where: bonds (distance) C4'-P energy: -84.453 bonds (distance) P-C4' energy: -77.026 flat angles C4'-P-C4' energy: -88.086 flat angles P-C4'-P energy: -54.975 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: 6, replica: 9 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -1312.537351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.537351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.537351 (E_RNA) where: Base-Base interactions energy: -916.986 where: short stacking energy: -387.531 Base-Backbone interact. energy: -1.379 local terms energy: -394.172289 where: bonds (distance) C4'-P energy: -77.689 bonds (distance) P-C4' energy: -71.413 flat angles C4'-P-C4' energy: -77.735 flat angles P-C4'-P energy: -62.836 tors. eta vs tors. theta energy: -104.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1184.793308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.793308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.793308 (E_RNA) where: Base-Base interactions energy: -817.555 where: short stacking energy: -339.389 Base-Backbone interact. energy: -2.147 local terms energy: -365.090595 where: bonds (distance) C4'-P energy: -59.358 bonds (distance) P-C4' energy: -60.821 flat angles C4'-P-C4' energy: -83.607 flat angles P-C4'-P energy: -68.855 tors. eta vs tors. theta energy: -92.449 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: 7 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1073.056361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.056361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.056361 (E_RNA) where: Base-Base interactions energy: -740.357 where: short stacking energy: -311.191 Base-Backbone interact. energy: -0.556 local terms energy: -332.143575 where: bonds (distance) C4'-P energy: -76.125 bonds (distance) P-C4' energy: -68.647 flat angles C4'-P-C4' energy: -73.691 flat angles P-C4'-P energy: -40.405 tors. eta vs tors. theta energy: -73.276 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: 5 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -810.935379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.935379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.935379 (E_RNA) where: Base-Base interactions energy: -505.932 where: short stacking energy: -251.073 Base-Backbone interact. energy: -1.180 local terms energy: -303.823743 where: bonds (distance) C4'-P energy: -57.115 bonds (distance) P-C4' energy: -80.496 flat angles C4'-P-C4' energy: -74.107 flat angles P-C4'-P energy: -43.954 tors. eta vs tors. theta energy: -48.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -504.669945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.669945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.669945 (E_RNA) where: Base-Base interactions energy: -284.206 where: short stacking energy: -179.024 Base-Backbone interact. energy: -0.914 local terms energy: -219.549007 where: bonds (distance) C4'-P energy: -38.756 bonds (distance) P-C4' energy: -80.362 flat angles C4'-P-C4' energy: -50.005 flat angles P-C4'-P energy: -42.272 tors. eta vs tors. theta energy: -8.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1570.380928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.380928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.380928 (E_RNA) where: Base-Base interactions energy: -1096.620 where: short stacking energy: -446.674 Base-Backbone interact. energy: -3.763 local terms energy: -469.997426 where: bonds (distance) C4'-P energy: -88.320 bonds (distance) P-C4' energy: -95.047 flat angles C4'-P-C4' energy: -101.258 flat angles P-C4'-P energy: -72.652 tors. eta vs tors. theta energy: -112.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1514.613544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.613544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.613544 (E_RNA) where: Base-Base interactions energy: -1079.779 where: short stacking energy: -443.581 Base-Backbone interact. energy: 1.964 local terms energy: -436.798579 where: bonds (distance) C4'-P energy: -76.182 bonds (distance) P-C4' energy: -88.589 flat angles C4'-P-C4' energy: -92.265 flat angles P-C4'-P energy: -64.781 tors. eta vs tors. theta energy: -114.981 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: 2 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1461.085962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.085962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.085962 (E_RNA) where: Base-Base interactions energy: -1017.844 where: short stacking energy: -459.824 Base-Backbone interact. energy: -0.975 local terms energy: -442.266053 where: bonds (distance) C4'-P energy: -75.049 bonds (distance) P-C4' energy: -89.308 flat angles C4'-P-C4' energy: -90.654 flat angles P-C4'-P energy: -57.731 tors. eta vs tors. theta energy: -129.524 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: 8 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1455.796456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.796456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.796456 (E_RNA) where: Base-Base interactions energy: -1018.457 where: short stacking energy: -432.573 Base-Backbone interact. energy: -0.195 local terms energy: -437.144883 where: bonds (distance) C4'-P energy: -75.740 bonds (distance) P-C4' energy: -83.693 flat angles C4'-P-C4' energy: -92.768 flat angles P-C4'-P energy: -56.638 tors. eta vs tors. theta energy: -128.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1306.887864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.887864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.887864 (E_RNA) where: Base-Base interactions energy: -905.152 where: short stacking energy: -388.430 Base-Backbone interact. energy: -1.302 local terms energy: -400.433927 where: bonds (distance) C4'-P energy: -79.057 bonds (distance) P-C4' energy: -69.664 flat angles C4'-P-C4' energy: -85.883 flat angles P-C4'-P energy: -51.635 tors. eta vs tors. theta energy: -114.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -1314.159835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.159835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.159835 (E_RNA) where: Base-Base interactions energy: -887.531 where: short stacking energy: -383.916 Base-Backbone interact. energy: 1.582 local terms energy: -428.210959 where: bonds (distance) C4'-P energy: -81.822 bonds (distance) P-C4' energy: -85.597 flat angles C4'-P-C4' energy: -90.834 flat angles P-C4'-P energy: -60.703 tors. eta vs tors. theta energy: -109.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1152.947363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.947363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.947363 (E_RNA) where: Base-Base interactions energy: -791.536 where: short stacking energy: -340.107 Base-Backbone interact. energy: -1.841 local terms energy: -359.570300 where: bonds (distance) C4'-P energy: -61.888 bonds (distance) P-C4' energy: -67.901 flat angles C4'-P-C4' energy: -85.641 flat angles P-C4'-P energy: -57.149 tors. eta vs tors. theta energy: -86.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1070.583814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.583814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.583814 (E_RNA) where: Base-Base interactions energy: -725.656 where: short stacking energy: -321.852 Base-Backbone interact. energy: 0.967 local terms energy: -345.895459 where: bonds (distance) C4'-P energy: -70.185 bonds (distance) P-C4' energy: -70.639 flat angles C4'-P-C4' energy: -79.846 flat angles P-C4'-P energy: -53.158 tors. eta vs tors. theta energy: -72.067 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: 5 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -812.419404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.419404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.419404 (E_RNA) where: Base-Base interactions energy: -494.577 where: short stacking energy: -251.238 Base-Backbone interact. energy: -1.259 local terms energy: -316.583951 where: bonds (distance) C4'-P energy: -70.424 bonds (distance) P-C4' energy: -73.653 flat angles C4'-P-C4' energy: -76.400 flat angles P-C4'-P energy: -52.970 tors. eta vs tors. theta energy: -43.137 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: 4 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -498.525492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.525492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.525492 (E_RNA) where: Base-Base interactions energy: -262.311 where: short stacking energy: -146.523 Base-Backbone interact. energy: -1.420 local terms energy: -234.794993 where: bonds (distance) C4'-P energy: -73.196 bonds (distance) P-C4' energy: -74.454 flat angles C4'-P-C4' energy: -50.406 flat angles P-C4'-P energy: -33.218 tors. eta vs tors. theta energy: -3.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1571.318281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.318281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.318281 (E_RNA) where: Base-Base interactions energy: -1125.398 where: short stacking energy: -463.723 Base-Backbone interact. energy: -1.439 local terms energy: -444.481707 where: bonds (distance) C4'-P energy: -71.589 bonds (distance) P-C4' energy: -100.757 flat angles C4'-P-C4' energy: -86.737 flat angles P-C4'-P energy: -63.662 tors. eta vs tors. theta energy: -121.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1503.283955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.283955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.283955 (E_RNA) where: Base-Base interactions energy: -1074.336 where: short stacking energy: -426.689 Base-Backbone interact. energy: -2.632 local terms energy: -426.315126 where: bonds (distance) C4'-P energy: -68.612 bonds (distance) P-C4' energy: -81.551 flat angles C4'-P-C4' energy: -91.403 flat angles P-C4'-P energy: -63.387 tors. eta vs tors. theta energy: -121.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1460.091478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.091478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.091478 (E_RNA) where: Base-Base interactions energy: -1014.623 where: short stacking energy: -445.672 Base-Backbone interact. energy: -4.048 local terms energy: -441.420608 where: bonds (distance) C4'-P energy: -78.837 bonds (distance) P-C4' energy: -86.021 flat angles C4'-P-C4' energy: -88.533 flat angles P-C4'-P energy: -58.304 tors. eta vs tors. theta energy: -129.726 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: 8 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -1454.895971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.895971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.895971 (E_RNA) where: Base-Base interactions energy: -1002.471 where: short stacking energy: -442.340 Base-Backbone interact. energy: -2.066 local terms energy: -450.359271 where: bonds (distance) C4'-P energy: -76.891 bonds (distance) P-C4' energy: -85.280 flat angles C4'-P-C4' energy: -91.546 flat angles P-C4'-P energy: -71.866 tors. eta vs tors. theta energy: -124.777 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: 5, replica: 10 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -1352.436840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.436840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.436840 (E_RNA) where: Base-Base interactions energy: -916.638 where: short stacking energy: -405.888 Base-Backbone interact. energy: 0.790 local terms energy: -436.588885 where: bonds (distance) C4'-P energy: -74.531 bonds (distance) P-C4' energy: -82.654 flat angles C4'-P-C4' energy: -83.718 flat angles P-C4'-P energy: -66.239 tors. eta vs tors. theta energy: -129.446 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: 9 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1303.735053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.735053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.735053 (E_RNA) where: Base-Base interactions energy: -897.594 where: short stacking energy: -386.994 Base-Backbone interact. energy: -1.145 local terms energy: -404.995528 where: bonds (distance) C4'-P energy: -79.473 bonds (distance) P-C4' energy: -76.599 flat angles C4'-P-C4' energy: -88.022 flat angles P-C4'-P energy: -54.645 tors. eta vs tors. theta energy: -106.256 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: 6 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1141.030342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.030342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.030342 (E_RNA) where: Base-Base interactions energy: -799.223 where: short stacking energy: -306.048 Base-Backbone interact. energy: -2.003 local terms energy: -339.804653 where: bonds (distance) C4'-P energy: -72.781 bonds (distance) P-C4' energy: -82.305 flat angles C4'-P-C4' energy: -71.412 flat angles P-C4'-P energy: -46.778 tors. eta vs tors. theta energy: -66.529 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: 7 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1047.159254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.159254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.159254 (E_RNA) where: Base-Base interactions energy: -718.968 where: short stacking energy: -297.938 Base-Backbone interact. energy: -2.191 local terms energy: -326.000772 where: bonds (distance) C4'-P energy: -73.265 bonds (distance) P-C4' energy: -66.493 flat angles C4'-P-C4' energy: -66.961 flat angles P-C4'-P energy: -52.491 tors. eta vs tors. theta energy: -66.790 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: 5 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -775.671525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.671525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.671525 (E_RNA) where: Base-Base interactions energy: -482.158 where: short stacking energy: -230.241 Base-Backbone interact. energy: 1.813 local terms energy: -295.326587 where: bonds (distance) C4'-P energy: -72.091 bonds (distance) P-C4' energy: -73.286 flat angles C4'-P-C4' energy: -51.819 flat angles P-C4'-P energy: -46.270 tors. eta vs tors. theta energy: -51.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -510.119750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.119750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.119750 (E_RNA) where: Base-Base interactions energy: -285.192 where: short stacking energy: -143.571 Base-Backbone interact. energy: 0.425 local terms energy: -225.352989 where: bonds (distance) C4'-P energy: -62.485 bonds (distance) P-C4' energy: -65.463 flat angles C4'-P-C4' energy: -57.523 flat angles P-C4'-P energy: -31.091 tors. eta vs tors. theta energy: -8.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1587.151976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.151976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.151976 (E_RNA) where: Base-Base interactions energy: -1104.156 where: short stacking energy: -441.111 Base-Backbone interact. energy: -2.043 local terms energy: -480.952190 where: bonds (distance) C4'-P energy: -91.864 bonds (distance) P-C4' energy: -85.734 flat angles C4'-P-C4' energy: -101.334 flat angles P-C4'-P energy: -79.481 tors. eta vs tors. theta energy: -122.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1488.357130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.357130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.357130 (E_RNA) where: Base-Base interactions energy: -1045.411 where: short stacking energy: -436.966 Base-Backbone interact. energy: 0.553 local terms energy: -443.499002 where: bonds (distance) C4'-P energy: -85.159 bonds (distance) P-C4' energy: -87.573 flat angles C4'-P-C4' energy: -88.736 flat angles P-C4'-P energy: -55.724 tors. eta vs tors. theta energy: -126.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1484.109348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.109348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.109348 (E_RNA) where: Base-Base interactions energy: -1051.835 where: short stacking energy: -427.179 Base-Backbone interact. energy: 0.599 local terms energy: -432.872726 where: bonds (distance) C4'-P energy: -87.237 bonds (distance) P-C4' energy: -76.569 flat angles C4'-P-C4' energy: -93.181 flat angles P-C4'-P energy: -65.243 tors. eta vs tors. theta energy: -110.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1414.685919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.685919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.685919 (E_RNA) where: Base-Base interactions energy: -981.031 where: short stacking energy: -417.885 Base-Backbone interact. energy: 0.975 local terms energy: -434.630357 where: bonds (distance) C4'-P energy: -74.999 bonds (distance) P-C4' energy: -84.443 flat angles C4'-P-C4' energy: -92.651 flat angles P-C4'-P energy: -58.539 tors. eta vs tors. theta energy: -123.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -1365.528792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.528792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.528792 (E_RNA) where: Base-Base interactions energy: -952.391 where: short stacking energy: -436.080 Base-Backbone interact. energy: -1.230 local terms energy: -411.908567 where: bonds (distance) C4'-P energy: -74.953 bonds (distance) P-C4' energy: -76.187 flat angles C4'-P-C4' energy: -79.195 flat angles P-C4'-P energy: -55.508 tors. eta vs tors. theta energy: -126.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1322.752052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.752052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.752052 (E_RNA) where: Base-Base interactions energy: -919.321 where: short stacking energy: -390.323 Base-Backbone interact. energy: -1.603 local terms energy: -401.827519 where: bonds (distance) C4'-P energy: -66.639 bonds (distance) P-C4' energy: -83.717 flat angles C4'-P-C4' energy: -93.459 flat angles P-C4'-P energy: -56.404 tors. eta vs tors. theta energy: -101.610 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: 6 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1159.739643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.739643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.739643 (E_RNA) where: Base-Base interactions energy: -781.946 where: short stacking energy: -341.345 Base-Backbone interact. energy: -3.079 local terms energy: -374.714055 where: bonds (distance) C4'-P energy: -76.770 bonds (distance) P-C4' energy: -56.526 flat angles C4'-P-C4' energy: -94.408 flat angles P-C4'-P energy: -58.629 tors. eta vs tors. theta energy: -88.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1073.402636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.402636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.402636 (E_RNA) where: Base-Base interactions energy: -724.365 where: short stacking energy: -307.566 Base-Backbone interact. energy: -1.946 local terms energy: -347.090723 where: bonds (distance) C4'-P energy: -53.526 bonds (distance) P-C4' energy: -71.990 flat angles C4'-P-C4' energy: -83.907 flat angles P-C4'-P energy: -50.177 tors. eta vs tors. theta energy: -87.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -791.132491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.132491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.132491 (E_RNA) where: Base-Base interactions energy: -507.799 where: short stacking energy: -233.445 Base-Backbone interact. energy: -0.875 local terms energy: -282.458390 where: bonds (distance) C4'-P energy: -63.585 bonds (distance) P-C4' energy: -77.022 flat angles C4'-P-C4' energy: -70.535 flat angles P-C4'-P energy: -34.388 tors. eta vs tors. theta energy: -36.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -518.362331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.362331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.362331 (E_RNA) where: Base-Base interactions energy: -283.529 where: short stacking energy: -155.442 Base-Backbone interact. energy: 4.791 local terms energy: -239.623585 where: bonds (distance) C4'-P energy: -70.230 bonds (distance) P-C4' energy: -72.048 flat angles C4'-P-C4' energy: -56.995 flat angles P-C4'-P energy: -34.626 tors. eta vs tors. theta energy: -5.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1579.457494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.457494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.457494 (E_RNA) where: Base-Base interactions energy: -1139.161 where: short stacking energy: -455.442 Base-Backbone interact. energy: -1.089 local terms energy: -439.207026 where: bonds (distance) C4'-P energy: -73.921 bonds (distance) P-C4' energy: -84.041 flat angles C4'-P-C4' energy: -93.036 flat angles P-C4'-P energy: -62.285 tors. eta vs tors. theta energy: -125.923 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: 2 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1481.055330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.055330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.055330 (E_RNA) where: Base-Base interactions energy: -1047.030 where: short stacking energy: -434.991 Base-Backbone interact. energy: -0.620 local terms energy: -433.405230 where: bonds (distance) C4'-P energy: -73.980 bonds (distance) P-C4' energy: -83.956 flat angles C4'-P-C4' energy: -91.776 flat angles P-C4'-P energy: -67.387 tors. eta vs tors. theta energy: -116.306 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: 444 Temperature: 1.000000 Total energy: -1480.796985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.796985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.796985 (E_RNA) where: Base-Base interactions energy: -1073.230 where: short stacking energy: -423.623 Base-Backbone interact. energy: -2.307 local terms energy: -405.259763 where: bonds (distance) C4'-P energy: -77.693 bonds (distance) P-C4' energy: -70.595 flat angles C4'-P-C4' energy: -98.011 flat angles P-C4'-P energy: -51.325 tors. eta vs tors. theta energy: -107.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1427.999372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.999372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.999372 (E_RNA) where: Base-Base interactions energy: -986.087 where: short stacking energy: -422.399 Base-Backbone interact. energy: -0.726 local terms energy: -441.185796 where: bonds (distance) C4'-P energy: -73.944 bonds (distance) P-C4' energy: -83.758 flat angles C4'-P-C4' energy: -99.140 flat angles P-C4'-P energy: -52.274 tors. eta vs tors. theta energy: -132.069 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: 5, replica: 10 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1333.207239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.207239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.207239 (E_RNA) where: Base-Base interactions energy: -910.602 where: short stacking energy: -410.521 Base-Backbone interact. energy: 1.116 local terms energy: -423.721726 where: bonds (distance) C4'-P energy: -72.354 bonds (distance) P-C4' energy: -77.347 flat angles C4'-P-C4' energy: -83.600 flat angles P-C4'-P energy: -69.091 tors. eta vs tors. theta energy: -121.330 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: 9 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -1287.039909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.039909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.039909 (E_RNA) where: Base-Base interactions energy: -893.521 where: short stacking energy: -388.226 Base-Backbone interact. energy: -1.229 local terms energy: -392.290014 where: bonds (distance) C4'-P energy: -71.518 bonds (distance) P-C4' energy: -77.873 flat angles C4'-P-C4' energy: -82.306 flat angles P-C4'-P energy: -54.743 tors. eta vs tors. theta energy: -105.850 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: 6 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1127.235748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.235748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.235748 (E_RNA) where: Base-Base interactions energy: -781.218 where: short stacking energy: -337.557 Base-Backbone interact. energy: -1.892 local terms energy: -344.125120 where: bonds (distance) C4'-P energy: -79.156 bonds (distance) P-C4' energy: -54.144 flat angles C4'-P-C4' energy: -77.312 flat angles P-C4'-P energy: -49.332 tors. eta vs tors. theta energy: -84.182 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: 7 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1086.401778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.401778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.401778 (E_RNA) where: Base-Base interactions energy: -752.208 where: short stacking energy: -311.672 Base-Backbone interact. energy: 0.872 local terms energy: -335.065499 where: bonds (distance) C4'-P energy: -63.033 bonds (distance) P-C4' energy: -58.927 flat angles C4'-P-C4' energy: -75.776 flat angles P-C4'-P energy: -55.457 tors. eta vs tors. theta energy: -81.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -771.797526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.797526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.797526 (E_RNA) where: Base-Base interactions energy: -474.441 where: short stacking energy: -212.954 Base-Backbone interact. energy: -2.691 local terms energy: -294.666054 where: bonds (distance) C4'-P energy: -57.115 bonds (distance) P-C4' energy: -85.589 flat angles C4'-P-C4' energy: -67.349 flat angles P-C4'-P energy: -45.507 tors. eta vs tors. theta energy: -39.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -508.084706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.084706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.084706 (E_RNA) where: Base-Base interactions energy: -251.081 where: short stacking energy: -146.165 Base-Backbone interact. energy: 0.373 local terms energy: -257.376760 where: bonds (distance) C4'-P energy: -67.103 bonds (distance) P-C4' energy: -84.114 flat angles C4'-P-C4' energy: -61.695 flat angles P-C4'-P energy: -34.217 tors. eta vs tors. theta energy: -10.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1568.549465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.549465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.549465 (E_RNA) where: Base-Base interactions energy: -1127.109 where: short stacking energy: -457.709 Base-Backbone interact. energy: -0.294 local terms energy: -441.146495 where: bonds (distance) C4'-P energy: -86.536 bonds (distance) P-C4' energy: -79.499 flat angles C4'-P-C4' energy: -94.423 flat angles P-C4'-P energy: -54.385 tors. eta vs tors. theta energy: -126.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1492.218615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.218615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.218615 (E_RNA) where: Base-Base interactions energy: -1074.287 where: short stacking energy: -415.988 Base-Backbone interact. energy: -1.804 local terms energy: -416.127467 where: bonds (distance) C4'-P energy: -82.288 bonds (distance) P-C4' energy: -71.543 flat angles C4'-P-C4' energy: -93.993 flat angles P-C4'-P energy: -63.995 tors. eta vs tors. theta energy: -104.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1459.262475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.262475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.262475 (E_RNA) where: Base-Base interactions energy: -1013.412 where: short stacking energy: -430.508 Base-Backbone interact. energy: -1.492 local terms energy: -444.358701 where: bonds (distance) C4'-P energy: -79.371 bonds (distance) P-C4' energy: -84.924 flat angles C4'-P-C4' energy: -95.023 flat angles P-C4'-P energy: -58.807 tors. eta vs tors. theta energy: -126.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1434.849320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.849320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.849320 (E_RNA) where: Base-Base interactions energy: -1013.796 where: short stacking energy: -425.258 Base-Backbone interact. energy: -1.754 local terms energy: -419.299166 where: bonds (distance) C4'-P energy: -69.740 bonds (distance) P-C4' energy: -69.080 flat angles C4'-P-C4' energy: -101.003 flat angles P-C4'-P energy: -55.727 tors. eta vs tors. theta energy: -123.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1357.320247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.320247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.320247 (E_RNA) where: Base-Base interactions energy: -944.490 where: short stacking energy: -409.026 Base-Backbone interact. energy: -2.065 local terms energy: -410.765357 where: bonds (distance) C4'-P energy: -70.098 bonds (distance) P-C4' energy: -83.707 flat angles C4'-P-C4' energy: -88.040 flat angles P-C4'-P energy: -50.694 tors. eta vs tors. theta energy: -118.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1287.038472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.038472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.038472 (E_RNA) where: Base-Base interactions energy: -879.498 where: short stacking energy: -396.526 Base-Backbone interact. energy: -0.264 local terms energy: -407.276037 where: bonds (distance) C4'-P energy: -89.674 bonds (distance) P-C4' energy: -72.919 flat angles C4'-P-C4' energy: -88.453 flat angles P-C4'-P energy: -53.834 tors. eta vs tors. theta energy: -102.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1145.591490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.591490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.591490 (E_RNA) where: Base-Base interactions energy: -784.972 where: short stacking energy: -334.378 Base-Backbone interact. energy: 0.573 local terms energy: -361.192528 where: bonds (distance) C4'-P energy: -69.687 bonds (distance) P-C4' energy: -77.991 flat angles C4'-P-C4' energy: -85.916 flat angles P-C4'-P energy: -46.710 tors. eta vs tors. theta energy: -80.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1055.393189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.393189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.393189 (E_RNA) where: Base-Base interactions energy: -692.109 where: short stacking energy: -298.599 Base-Backbone interact. energy: -1.140 local terms energy: -362.144852 where: bonds (distance) C4'-P energy: -73.629 bonds (distance) P-C4' energy: -79.906 flat angles C4'-P-C4' energy: -75.013 flat angles P-C4'-P energy: -49.115 tors. eta vs tors. theta energy: -84.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -744.966323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.966323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.966323 (E_RNA) where: Base-Base interactions energy: -456.640 where: short stacking energy: -220.563 Base-Backbone interact. energy: 0.373 local terms energy: -288.698996 where: bonds (distance) C4'-P energy: -70.348 bonds (distance) P-C4' energy: -68.848 flat angles C4'-P-C4' energy: -65.721 flat angles P-C4'-P energy: -40.797 tors. eta vs tors. theta energy: -42.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -471.126403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.126403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.126403 (E_RNA) where: Base-Base interactions energy: -222.033 where: short stacking energy: -122.969 Base-Backbone interact. energy: -2.328 local terms energy: -246.765315 where: bonds (distance) C4'-P energy: -70.079 bonds (distance) P-C4' energy: -71.881 flat angles C4'-P-C4' energy: -62.065 flat angles P-C4'-P energy: -42.839 tors. eta vs tors. theta energy: 0.099 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: 3 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1581.073192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.073192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.073192 (E_RNA) where: Base-Base interactions energy: -1132.180 where: short stacking energy: -451.857 Base-Backbone interact. energy: -3.498 local terms energy: -445.395349 where: bonds (distance) C4'-P energy: -77.940 bonds (distance) P-C4' energy: -82.990 flat angles C4'-P-C4' energy: -94.422 flat angles P-C4'-P energy: -63.479 tors. eta vs tors. theta energy: -126.564 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: 1 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1509.095251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.095251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.095251 (E_RNA) where: Base-Base interactions energy: -1069.852 where: short stacking energy: -437.958 Base-Backbone interact. energy: 1.302 local terms energy: -440.544974 where: bonds (distance) C4'-P energy: -72.778 bonds (distance) P-C4' energy: -83.544 flat angles C4'-P-C4' energy: -101.270 flat angles P-C4'-P energy: -65.845 tors. eta vs tors. theta energy: -117.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1481.208277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.208277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.208277 (E_RNA) where: Base-Base interactions energy: -1030.797 where: short stacking energy: -449.882 Base-Backbone interact. energy: -0.357 local terms energy: -450.053693 where: bonds (distance) C4'-P energy: -81.490 bonds (distance) P-C4' energy: -70.230 flat angles C4'-P-C4' energy: -100.990 flat angles P-C4'-P energy: -67.153 tors. eta vs tors. theta energy: -130.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -1465.970663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.970663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.970663 (E_RNA) where: Base-Base interactions energy: -1032.536 where: short stacking energy: -441.568 Base-Backbone interact. energy: -1.693 local terms energy: -431.742118 where: bonds (distance) C4'-P energy: -82.058 bonds (distance) P-C4' energy: -64.129 flat angles C4'-P-C4' energy: -97.056 flat angles P-C4'-P energy: -53.103 tors. eta vs tors. theta energy: -135.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -1353.114587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.114587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.114587 (E_RNA) where: Base-Base interactions energy: -941.178 where: short stacking energy: -411.773 Base-Backbone interact. energy: -3.700 local terms energy: -408.236989 where: bonds (distance) C4'-P energy: -66.984 bonds (distance) P-C4' energy: -73.675 flat angles C4'-P-C4' energy: -96.962 flat angles P-C4'-P energy: -51.305 tors. eta vs tors. theta energy: -119.310 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: 9 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -1271.975252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.975252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.975252 (E_RNA) where: Base-Base interactions energy: -887.615 where: short stacking energy: -380.185 Base-Backbone interact. energy: -2.381 local terms energy: -381.978902 where: bonds (distance) C4'-P energy: -59.518 bonds (distance) P-C4' energy: -81.363 flat angles C4'-P-C4' energy: -92.444 flat angles P-C4'-P energy: -54.626 tors. eta vs tors. theta energy: -94.028 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: 7, replica: 6 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1106.740405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.740405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.740405 (E_RNA) where: Base-Base interactions energy: -754.310 where: short stacking energy: -330.692 Base-Backbone interact. energy: 1.435 local terms energy: -353.865668 where: bonds (distance) C4'-P energy: -76.108 bonds (distance) P-C4' energy: -72.028 flat angles C4'-P-C4' energy: -78.898 flat angles P-C4'-P energy: -52.136 tors. eta vs tors. theta energy: -74.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -1030.594603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.594603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.594603 (E_RNA) where: Base-Base interactions energy: -697.194 where: short stacking energy: -286.136 Base-Backbone interact. energy: 3.256 local terms energy: -336.656969 where: bonds (distance) C4'-P energy: -63.531 bonds (distance) P-C4' energy: -82.056 flat angles C4'-P-C4' energy: -70.466 flat angles P-C4'-P energy: -47.595 tors. eta vs tors. theta energy: -73.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -758.939045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.939045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.939045 (E_RNA) where: Base-Base interactions energy: -472.897 where: short stacking energy: -227.416 Base-Backbone interact. energy: 1.819 local terms energy: -287.860760 where: bonds (distance) C4'-P energy: -63.482 bonds (distance) P-C4' energy: -62.490 flat angles C4'-P-C4' energy: -74.369 flat angles P-C4'-P energy: -49.238 tors. eta vs tors. theta energy: -38.281 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: 4 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -455.136018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.136018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.136018 (E_RNA) where: Base-Base interactions energy: -214.633 where: short stacking energy: -117.224 Base-Backbone interact. energy: 2.695 local terms energy: -243.197665 where: bonds (distance) C4'-P energy: -64.755 bonds (distance) P-C4' energy: -83.504 flat angles C4'-P-C4' energy: -61.810 flat angles P-C4'-P energy: -28.515 tors. eta vs tors. theta energy: -4.613 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: 1, replica: 3 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1591.960509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.960509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.960509 (E_RNA) where: Base-Base interactions energy: -1125.889 where: short stacking energy: -447.036 Base-Backbone interact. energy: -1.567 local terms energy: -464.504875 where: bonds (distance) C4'-P energy: -97.883 bonds (distance) P-C4' energy: -83.688 flat angles C4'-P-C4' energy: -91.401 flat angles P-C4'-P energy: -71.225 tors. eta vs tors. theta energy: -120.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1485.487623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.487623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.487623 (E_RNA) where: Base-Base interactions energy: -1048.230 where: short stacking energy: -444.833 Base-Backbone interact. energy: -0.215 local terms energy: -437.042532 where: bonds (distance) C4'-P energy: -75.265 bonds (distance) P-C4' energy: -79.612 flat angles C4'-P-C4' energy: -97.136 flat angles P-C4'-P energy: -63.721 tors. eta vs tors. theta energy: -121.309 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: 447 Temperature: 1.000000 Total energy: -1495.107234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.107234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.107234 (E_RNA) where: Base-Base interactions energy: -1081.479 where: short stacking energy: -409.869 Base-Backbone interact. energy: -1.366 local terms energy: -412.262414 where: bonds (distance) C4'-P energy: -66.121 bonds (distance) P-C4' energy: -85.404 flat angles C4'-P-C4' energy: -85.896 flat angles P-C4'-P energy: -54.831 tors. eta vs tors. theta energy: -120.010 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: 8 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1451.897659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.897659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.897659 (E_RNA) where: Base-Base interactions energy: -1013.560 where: short stacking energy: -426.359 Base-Backbone interact. energy: -2.547 local terms energy: -435.791522 where: bonds (distance) C4'-P energy: -82.691 bonds (distance) P-C4' energy: -84.558 flat angles C4'-P-C4' energy: -97.870 flat angles P-C4'-P energy: -48.291 tors. eta vs tors. theta energy: -122.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -1360.963079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.963079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.963079 (E_RNA) where: Base-Base interactions energy: -932.255 where: short stacking energy: -398.989 Base-Backbone interact. energy: -1.344 local terms energy: -427.364011 where: bonds (distance) C4'-P energy: -59.116 bonds (distance) P-C4' energy: -89.176 flat angles C4'-P-C4' energy: -94.375 flat angles P-C4'-P energy: -62.363 tors. eta vs tors. theta energy: -122.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1301.840309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.840309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.840309 (E_RNA) where: Base-Base interactions energy: -904.658 where: short stacking energy: -378.405 Base-Backbone interact. energy: 0.464 local terms energy: -397.646354 where: bonds (distance) C4'-P energy: -69.671 bonds (distance) P-C4' energy: -78.880 flat angles C4'-P-C4' energy: -86.986 flat angles P-C4'-P energy: -56.786 tors. eta vs tors. theta energy: -105.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1131.628951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.628951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.628951 (E_RNA) where: Base-Base interactions energy: -782.024 where: short stacking energy: -338.530 Base-Backbone interact. energy: -0.243 local terms energy: -349.361708 where: bonds (distance) C4'-P energy: -71.526 bonds (distance) P-C4' energy: -80.259 flat angles C4'-P-C4' energy: -78.539 flat angles P-C4'-P energy: -42.669 tors. eta vs tors. theta energy: -76.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1076.475433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.475433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.475433 (E_RNA) where: Base-Base interactions energy: -743.090 where: short stacking energy: -334.565 Base-Backbone interact. energy: 0.619 local terms energy: -334.004639 where: bonds (distance) C4'-P energy: -60.002 bonds (distance) P-C4' energy: -73.034 flat angles C4'-P-C4' energy: -80.495 flat angles P-C4'-P energy: -37.282 tors. eta vs tors. theta energy: -83.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -773.116330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.116330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.116330 (E_RNA) where: Base-Base interactions energy: -462.539 where: short stacking energy: -231.635 Base-Backbone interact. energy: -0.759 local terms energy: -309.818647 where: bonds (distance) C4'-P energy: -69.469 bonds (distance) P-C4' energy: -77.659 flat angles C4'-P-C4' energy: -77.722 flat angles P-C4'-P energy: -40.658 tors. eta vs tors. theta energy: -44.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -427.204844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.204844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.204844 (E_RNA) where: Base-Base interactions energy: -188.702 where: short stacking energy: -124.654 Base-Backbone interact. energy: -1.944 local terms energy: -236.559510 where: bonds (distance) C4'-P energy: -83.453 bonds (distance) P-C4' energy: -71.555 flat angles C4'-P-C4' energy: -49.727 flat angles P-C4'-P energy: -39.252 tors. eta vs tors. theta energy: 7.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1595.984051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.984051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.984051 (E_RNA) where: Base-Base interactions energy: -1133.050 where: short stacking energy: -462.654 Base-Backbone interact. energy: -2.419 local terms energy: -460.515167 where: bonds (distance) C4'-P energy: -85.909 bonds (distance) P-C4' energy: -86.192 flat angles C4'-P-C4' energy: -93.933 flat angles P-C4'-P energy: -69.465 tors. eta vs tors. theta energy: -125.017 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: 2 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1456.453446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.453446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.453446 (E_RNA) where: Base-Base interactions energy: -1022.386 where: short stacking energy: -440.834 Base-Backbone interact. energy: -0.048 local terms energy: -434.019402 where: bonds (distance) C4'-P energy: -83.995 bonds (distance) P-C4' energy: -84.828 flat angles C4'-P-C4' energy: -86.163 flat angles P-C4'-P energy: -56.733 tors. eta vs tors. theta energy: -122.301 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: 8 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1474.896954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.896954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.896954 (E_RNA) where: Base-Base interactions energy: -1072.424 where: short stacking energy: -463.770 Base-Backbone interact. energy: 0.594 local terms energy: -403.066879 where: bonds (distance) C4'-P energy: -69.924 bonds (distance) P-C4' energy: -63.866 flat angles C4'-P-C4' energy: -83.334 flat angles P-C4'-P energy: -60.518 tors. eta vs tors. theta energy: -125.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1417.788786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.788786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.788786 (E_RNA) where: Base-Base interactions energy: -989.655 where: short stacking energy: -391.653 Base-Backbone interact. energy: 5.016 local terms energy: -433.150061 where: bonds (distance) C4'-P energy: -87.898 bonds (distance) P-C4' energy: -77.427 flat angles C4'-P-C4' energy: -92.811 flat angles P-C4'-P energy: -64.283 tors. eta vs tors. theta energy: -110.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -1381.197140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.197140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.197140 (E_RNA) where: Base-Base interactions energy: -951.055 where: short stacking energy: -435.375 Base-Backbone interact. energy: -1.012 local terms energy: -429.129898 where: bonds (distance) C4'-P energy: -85.273 bonds (distance) P-C4' energy: -74.301 flat angles C4'-P-C4' energy: -92.544 flat angles P-C4'-P energy: -55.992 tors. eta vs tors. theta energy: -121.019 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: 9 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -1309.231961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.231961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.231961 (E_RNA) where: Base-Base interactions energy: -928.047 where: short stacking energy: -398.234 Base-Backbone interact. energy: -0.158 local terms energy: -381.027872 where: bonds (distance) C4'-P energy: -80.713 bonds (distance) P-C4' energy: -71.987 flat angles C4'-P-C4' energy: -74.668 flat angles P-C4'-P energy: -41.341 tors. eta vs tors. theta energy: -112.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1154.593666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.593666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.593666 (E_RNA) where: Base-Base interactions energy: -813.726 where: short stacking energy: -325.674 Base-Backbone interact. energy: -1.622 local terms energy: -339.245211 where: bonds (distance) C4'-P energy: -72.342 bonds (distance) P-C4' energy: -69.978 flat angles C4'-P-C4' energy: -82.043 flat angles P-C4'-P energy: -51.407 tors. eta vs tors. theta energy: -63.475 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: 7 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1072.907535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.907535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.907535 (E_RNA) where: Base-Base interactions energy: -727.318 where: short stacking energy: -298.634 Base-Backbone interact. energy: -0.812 local terms energy: -344.776701 where: bonds (distance) C4'-P energy: -64.665 bonds (distance) P-C4' energy: -76.470 flat angles C4'-P-C4' energy: -74.341 flat angles P-C4'-P energy: -56.293 tors. eta vs tors. theta energy: -73.008 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: 448 Temperature: 1.300000 Total energy: -753.502853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.502853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.502853 (E_RNA) where: Base-Base interactions energy: -463.438 where: short stacking energy: -217.302 Base-Backbone interact. energy: 0.524 local terms energy: -290.588601 where: bonds (distance) C4'-P energy: -71.701 bonds (distance) P-C4' energy: -81.675 flat angles C4'-P-C4' energy: -50.823 flat angles P-C4'-P energy: -48.969 tors. eta vs tors. theta energy: -37.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -371.122561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.122561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.122561 (E_RNA) where: Base-Base interactions energy: -131.541 where: short stacking energy: -114.207 Base-Backbone interact. energy: -0.691 local terms energy: -238.890050 where: bonds (distance) C4'-P energy: -66.133 bonds (distance) P-C4' energy: -71.699 flat angles C4'-P-C4' energy: -61.838 flat angles P-C4'-P energy: -32.380 tors. eta vs tors. theta energy: -6.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1587.113278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.113278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.113278 (E_RNA) where: Base-Base interactions energy: -1122.284 where: short stacking energy: -458.459 Base-Backbone interact. energy: -0.580 local terms energy: -464.248875 where: bonds (distance) C4'-P energy: -91.519 bonds (distance) P-C4' energy: -83.605 flat angles C4'-P-C4' energy: -98.390 flat angles P-C4'-P energy: -59.541 tors. eta vs tors. theta energy: -131.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1510.403665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.403665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.403665 (E_RNA) where: Base-Base interactions energy: -1051.313 where: short stacking energy: -460.907 Base-Backbone interact. energy: -1.580 local terms energy: -457.511362 where: bonds (distance) C4'-P energy: -89.391 bonds (distance) P-C4' energy: -82.811 flat angles C4'-P-C4' energy: -91.012 flat angles P-C4'-P energy: -64.131 tors. eta vs tors. theta energy: -130.165 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: 2 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1453.667866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.667866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.667866 (E_RNA) where: Base-Base interactions energy: -1008.523 where: short stacking energy: -428.657 Base-Backbone interact. energy: -1.839 local terms energy: -443.305578 where: bonds (distance) C4'-P energy: -89.185 bonds (distance) P-C4' energy: -77.847 flat angles C4'-P-C4' energy: -92.982 flat angles P-C4'-P energy: -59.332 tors. eta vs tors. theta energy: -123.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -1451.693126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.693126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.693126 (E_RNA) where: Base-Base interactions energy: -1043.392 where: short stacking energy: -437.631 Base-Backbone interact. energy: -1.250 local terms energy: -407.051324 where: bonds (distance) C4'-P energy: -72.148 bonds (distance) P-C4' energy: -74.003 flat angles C4'-P-C4' energy: -99.670 flat angles P-C4'-P energy: -49.800 tors. eta vs tors. theta energy: -111.430 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: 10 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1376.993357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.993357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.993357 (E_RNA) where: Base-Base interactions energy: -955.407 where: short stacking energy: -424.418 Base-Backbone interact. energy: 0.159 local terms energy: -421.745885 where: bonds (distance) C4'-P energy: -72.177 bonds (distance) P-C4' energy: -69.644 flat angles C4'-P-C4' energy: -96.955 flat angles P-C4'-P energy: -52.958 tors. eta vs tors. theta energy: -130.012 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: 449 Temperature: 1.150000 Total energy: -1283.773996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.773996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.773996 (E_RNA) where: Base-Base interactions energy: -891.867 where: short stacking energy: -397.800 Base-Backbone interact. energy: 1.236 local terms energy: -393.142233 where: bonds (distance) C4'-P energy: -80.981 bonds (distance) P-C4' energy: -67.830 flat angles C4'-P-C4' energy: -82.247 flat angles P-C4'-P energy: -58.337 tors. eta vs tors. theta energy: -103.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1180.355909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.355909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.355909 (E_RNA) where: Base-Base interactions energy: -811.711 where: short stacking energy: -352.160 Base-Backbone interact. energy: -1.151 local terms energy: -367.493973 where: bonds (distance) C4'-P energy: -67.594 bonds (distance) P-C4' energy: -75.605 flat angles C4'-P-C4' energy: -81.181 flat angles P-C4'-P energy: -55.626 tors. eta vs tors. theta energy: -87.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1085.229543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.229543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.229543 (E_RNA) where: Base-Base interactions energy: -740.048 where: short stacking energy: -323.738 Base-Backbone interact. energy: 0.470 local terms energy: -345.651919 where: bonds (distance) C4'-P energy: -75.146 bonds (distance) P-C4' energy: -76.387 flat angles C4'-P-C4' energy: -73.823 flat angles P-C4'-P energy: -44.718 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: 9, replica: 5 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -768.123435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.123435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.123435 (E_RNA) where: Base-Base interactions energy: -479.881 where: short stacking energy: -207.199 Base-Backbone interact. energy: -1.317 local terms energy: -286.925316 where: bonds (distance) C4'-P energy: -66.032 bonds (distance) P-C4' energy: -77.783 flat angles C4'-P-C4' energy: -75.266 flat angles P-C4'-P energy: -32.340 tors. eta vs tors. theta energy: -35.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -349.505742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.505742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.505742 (E_RNA) where: Base-Base interactions energy: -128.999 where: short stacking energy: -104.726 Base-Backbone interact. energy: -1.081 local terms energy: -219.425930 where: bonds (distance) C4'-P energy: -68.575 bonds (distance) P-C4' energy: -59.953 flat angles C4'-P-C4' energy: -64.908 flat angles P-C4'-P energy: -31.191 tors. eta vs tors. theta energy: 5.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1551.936973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.936973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.936973 (E_RNA) where: Base-Base interactions energy: -1078.081 where: short stacking energy: -472.637 Base-Backbone interact. energy: -1.287 local terms energy: -472.569409 where: bonds (distance) C4'-P energy: -79.606 bonds (distance) P-C4' energy: -94.347 flat angles C4'-P-C4' energy: -94.792 flat angles P-C4'-P energy: -68.840 tors. eta vs tors. theta energy: -134.984 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: 3 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1565.133194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.133194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.133194 (E_RNA) where: Base-Base interactions energy: -1119.382 where: short stacking energy: -461.448 Base-Backbone interact. energy: -2.027 local terms energy: -443.724024 where: bonds (distance) C4'-P energy: -77.843 bonds (distance) P-C4' energy: -86.923 flat angles C4'-P-C4' energy: -91.360 flat angles P-C4'-P energy: -57.296 tors. eta vs tors. theta energy: -130.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1465.242799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.242799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.242799 (E_RNA) where: Base-Base interactions energy: -1018.630 where: short stacking energy: -433.279 Base-Backbone interact. energy: -1.065 local terms energy: -445.547684 where: bonds (distance) C4'-P energy: -81.432 bonds (distance) P-C4' energy: -79.433 flat angles C4'-P-C4' energy: -96.682 flat angles P-C4'-P energy: -62.950 tors. eta vs tors. theta energy: -125.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1441.261550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.261550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.261550 (E_RNA) where: Base-Base interactions energy: -1042.027 where: short stacking energy: -414.196 Base-Backbone interact. energy: -2.250 local terms energy: -396.984216 where: bonds (distance) C4'-P energy: -66.483 bonds (distance) P-C4' energy: -90.195 flat angles C4'-P-C4' energy: -78.452 flat angles P-C4'-P energy: -56.542 tors. eta vs tors. theta energy: -105.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1362.331313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.331313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.331313 (E_RNA) where: Base-Base interactions energy: -940.245 where: short stacking energy: -399.746 Base-Backbone interact. energy: -0.780 local terms energy: -421.307012 where: bonds (distance) C4'-P energy: -82.300 bonds (distance) P-C4' energy: -75.994 flat angles C4'-P-C4' energy: -82.950 flat angles P-C4'-P energy: -57.408 tors. eta vs tors. theta energy: -122.656 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: 6, replica: 9 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -1273.322812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.322812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.322812 (E_RNA) where: Base-Base interactions energy: -891.354 where: short stacking energy: -370.811 Base-Backbone interact. energy: -0.975 local terms energy: -380.993737 where: bonds (distance) C4'-P energy: -70.795 bonds (distance) P-C4' energy: -69.538 flat angles C4'-P-C4' energy: -83.928 flat angles P-C4'-P energy: -55.078 tors. eta vs tors. theta energy: -101.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1182.050082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.050082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.050082 (E_RNA) where: Base-Base interactions energy: -817.231 where: short stacking energy: -355.368 Base-Backbone interact. energy: 0.282 local terms energy: -365.100891 where: bonds (distance) C4'-P energy: -80.984 bonds (distance) P-C4' energy: -83.595 flat angles C4'-P-C4' energy: -71.364 flat angles P-C4'-P energy: -40.898 tors. eta vs tors. theta energy: -88.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1035.766308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.766308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.766308 (E_RNA) where: Base-Base interactions energy: -697.521 where: short stacking energy: -307.825 Base-Backbone interact. energy: 0.308 local terms energy: -338.552600 where: bonds (distance) C4'-P energy: -73.723 bonds (distance) P-C4' energy: -59.387 flat angles C4'-P-C4' energy: -87.169 flat angles P-C4'-P energy: -42.024 tors. eta vs tors. theta energy: -76.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -746.652250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.652250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.652250 (E_RNA) where: Base-Base interactions energy: -446.218 where: short stacking energy: -228.449 Base-Backbone interact. energy: -2.852 local terms energy: -297.581658 where: bonds (distance) C4'-P energy: -74.770 bonds (distance) P-C4' energy: -73.242 flat angles C4'-P-C4' energy: -59.352 flat angles P-C4'-P energy: -43.349 tors. eta vs tors. theta energy: -46.868 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: 4 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -378.955627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.955627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.955627 (E_RNA) where: Base-Base interactions energy: -160.697 where: short stacking energy: -108.943 Base-Backbone interact. energy: -0.524 local terms energy: -217.733846 where: bonds (distance) C4'-P energy: -70.675 bonds (distance) P-C4' energy: -67.900 flat angles C4'-P-C4' energy: -52.547 flat angles P-C4'-P energy: -35.946 tors. eta vs tors. theta energy: 9.333 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: 8 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1534.633262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.633262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.633262 (E_RNA) where: Base-Base interactions energy: -1072.920 where: short stacking energy: -449.302 Base-Backbone interact. energy: -1.922 local terms energy: -459.791249 where: bonds (distance) C4'-P energy: -87.376 bonds (distance) P-C4' energy: -84.815 flat angles C4'-P-C4' energy: -93.681 flat angles P-C4'-P energy: -62.463 tors. eta vs tors. theta energy: -131.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1553.000925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.000925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.000925 (E_RNA) where: Base-Base interactions energy: -1103.728 where: short stacking energy: -452.231 Base-Backbone interact. energy: -2.652 local terms energy: -446.621206 where: bonds (distance) C4'-P energy: -78.918 bonds (distance) P-C4' energy: -86.358 flat angles C4'-P-C4' energy: -91.653 flat angles P-C4'-P energy: -66.465 tors. eta vs tors. theta energy: -123.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1457.915826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.915826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.915826 (E_RNA) where: Base-Base interactions energy: -1037.822 where: short stacking energy: -444.675 Base-Backbone interact. energy: -2.212 local terms energy: -417.881524 where: bonds (distance) C4'-P energy: -86.789 bonds (distance) P-C4' energy: -64.494 flat angles C4'-P-C4' energy: -89.009 flat angles P-C4'-P energy: -57.131 tors. eta vs tors. theta energy: -120.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -1421.933892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.933892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.933892 (E_RNA) where: Base-Base interactions energy: -1005.798 where: short stacking energy: -403.648 Base-Backbone interact. energy: 1.713 local terms energy: -417.848532 where: bonds (distance) C4'-P energy: -78.269 bonds (distance) P-C4' energy: -78.280 flat angles C4'-P-C4' energy: -88.134 flat angles P-C4'-P energy: -65.405 tors. eta vs tors. theta energy: -107.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -1352.531005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.531005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.531005 (E_RNA) where: Base-Base interactions energy: -923.416 where: short stacking energy: -410.368 Base-Backbone interact. energy: -0.419 local terms energy: -428.696135 where: bonds (distance) C4'-P energy: -84.978 bonds (distance) P-C4' energy: -78.332 flat angles C4'-P-C4' energy: -87.317 flat angles P-C4'-P energy: -62.035 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: 6, replica: 9 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -1306.927646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.927646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.927646 (E_RNA) where: Base-Base interactions energy: -926.076 where: short stacking energy: -403.094 Base-Backbone interact. energy: -0.102 local terms energy: -380.749904 where: bonds (distance) C4'-P energy: -70.404 bonds (distance) P-C4' energy: -71.175 flat angles C4'-P-C4' energy: -82.162 flat angles P-C4'-P energy: -54.489 tors. eta vs tors. theta energy: -102.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1167.350538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.350538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.350538 (E_RNA) where: Base-Base interactions energy: -817.724 where: short stacking energy: -355.741 Base-Backbone interact. energy: -1.952 local terms energy: -347.673968 where: bonds (distance) C4'-P energy: -75.050 bonds (distance) P-C4' energy: -63.148 flat angles C4'-P-C4' energy: -82.332 flat angles P-C4'-P energy: -40.775 tors. eta vs tors. theta energy: -86.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1014.398913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.398913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.398913 (E_RNA) where: Base-Base interactions energy: -674.946 where: short stacking energy: -288.819 Base-Backbone interact. energy: -2.423 local terms energy: -337.029300 where: bonds (distance) C4'-P energy: -65.705 bonds (distance) P-C4' energy: -73.460 flat angles C4'-P-C4' energy: -64.974 flat angles P-C4'-P energy: -58.289 tors. eta vs tors. theta energy: -74.601 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: 9, replica: 5 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -705.195465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.195465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.195465 (E_RNA) where: Base-Base interactions energy: -403.371 where: short stacking energy: -190.651 Base-Backbone interact. energy: 1.450 local terms energy: -303.274273 where: bonds (distance) C4'-P energy: -72.991 bonds (distance) P-C4' energy: -74.672 flat angles C4'-P-C4' energy: -81.493 flat angles P-C4'-P energy: -50.124 tors. eta vs tors. theta energy: -23.995 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: 4 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -375.485287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.485287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.485287 (E_RNA) where: Base-Base interactions energy: -136.476 where: short stacking energy: -109.814 Base-Backbone interact. energy: -3.581 local terms energy: -235.428458 where: bonds (distance) C4'-P energy: -79.520 bonds (distance) P-C4' energy: -53.895 flat angles C4'-P-C4' energy: -58.549 flat angles P-C4'-P energy: -37.264 tors. eta vs tors. theta energy: -6.201 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: 3 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1591.272401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.272401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.272401 (E_RNA) where: Base-Base interactions energy: -1138.226 where: short stacking energy: -468.412 Base-Backbone interact. energy: -3.864 local terms energy: -449.182609 where: bonds (distance) C4'-P energy: -81.930 bonds (distance) P-C4' energy: -81.989 flat angles C4'-P-C4' energy: -96.894 flat angles P-C4'-P energy: -58.899 tors. eta vs tors. theta energy: -129.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1508.239223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.239223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.239223 (E_RNA) where: Base-Base interactions energy: -1047.572 where: short stacking energy: -445.553 Base-Backbone interact. energy: -3.605 local terms energy: -457.062420 where: bonds (distance) C4'-P energy: -78.093 bonds (distance) P-C4' energy: -73.358 flat angles C4'-P-C4' energy: -104.459 flat angles P-C4'-P energy: -66.901 tors. eta vs tors. theta energy: -134.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1470.251390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.251390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.251390 (E_RNA) where: Base-Base interactions energy: -1021.684 where: short stacking energy: -427.570 Base-Backbone interact. energy: -0.696 local terms energy: -447.871433 where: bonds (distance) C4'-P energy: -82.123 bonds (distance) P-C4' energy: -85.886 flat angles C4'-P-C4' energy: -96.527 flat angles P-C4'-P energy: -65.546 tors. eta vs tors. theta energy: -117.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -1444.206222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.206222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.206222 (E_RNA) where: Base-Base interactions energy: -1018.416 where: short stacking energy: -419.478 Base-Backbone interact. energy: -2.540 local terms energy: -423.249941 where: bonds (distance) C4'-P energy: -79.059 bonds (distance) P-C4' energy: -81.552 flat angles C4'-P-C4' energy: -93.446 flat angles P-C4'-P energy: -60.524 tors. eta vs tors. theta energy: -108.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1387.350684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.350684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.350684 (E_RNA) where: Base-Base interactions energy: -951.386 where: short stacking energy: -430.814 Base-Backbone interact. energy: -1.410 local terms energy: -434.555154 where: bonds (distance) C4'-P energy: -72.713 bonds (distance) P-C4' energy: -71.599 flat angles C4'-P-C4' energy: -94.648 flat angles P-C4'-P energy: -59.323 tors. eta vs tors. theta energy: -136.271 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: 6, replica: 9 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -1255.560203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.560203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.560203 (E_RNA) where: Base-Base interactions energy: -886.789 where: short stacking energy: -359.053 Base-Backbone interact. energy: 0.080 local terms energy: -368.851470 where: bonds (distance) C4'-P energy: -66.473 bonds (distance) P-C4' energy: -74.281 flat angles C4'-P-C4' energy: -80.924 flat angles P-C4'-P energy: -57.930 tors. eta vs tors. theta energy: -89.244 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: 6 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1164.289047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.289047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.289047 (E_RNA) where: Base-Base interactions energy: -813.616 where: short stacking energy: -336.058 Base-Backbone interact. energy: -2.182 local terms energy: -348.491017 where: bonds (distance) C4'-P energy: -78.694 bonds (distance) P-C4' energy: -69.465 flat angles C4'-P-C4' energy: -72.099 flat angles P-C4'-P energy: -46.867 tors. eta vs tors. theta energy: -81.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -966.524756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.524756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.524756 (E_RNA) where: Base-Base interactions energy: -645.593 where: short stacking energy: -287.306 Base-Backbone interact. energy: -0.210 local terms energy: -320.722043 where: bonds (distance) C4'-P energy: -76.961 bonds (distance) P-C4' energy: -63.125 flat angles C4'-P-C4' energy: -80.216 flat angles P-C4'-P energy: -37.987 tors. eta vs tors. theta energy: -62.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -734.895204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.895204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.895204 (E_RNA) where: Base-Base interactions energy: -430.455 where: short stacking energy: -218.352 Base-Backbone interact. energy: 0.763 local terms energy: -305.203683 where: bonds (distance) C4'-P energy: -65.024 bonds (distance) P-C4' energy: -74.988 flat angles C4'-P-C4' energy: -78.592 flat angles P-C4'-P energy: -40.617 tors. eta vs tors. theta energy: -45.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -362.289565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.289565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.289565 (E_RNA) where: Base-Base interactions energy: -158.920 where: short stacking energy: -104.990 Base-Backbone interact. energy: 3.821 local terms energy: -207.190712 where: bonds (distance) C4'-P energy: -68.834 bonds (distance) P-C4' energy: -73.612 flat angles C4'-P-C4' energy: -65.557 flat angles P-C4'-P energy: -16.625 tors. eta vs tors. theta energy: 17.436 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: 1, replica: 3 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1578.772816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.772816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.772816 (E_RNA) where: Base-Base interactions energy: -1119.962 where: short stacking energy: -444.192 Base-Backbone interact. energy: -1.572 local terms energy: -457.239410 where: bonds (distance) C4'-P energy: -84.294 bonds (distance) P-C4' energy: -91.463 flat angles C4'-P-C4' energy: -97.595 flat angles P-C4'-P energy: -63.820 tors. eta vs tors. theta energy: -120.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1514.849806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.849806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.849806 (E_RNA) where: Base-Base interactions energy: -1055.295 where: short stacking energy: -442.720 Base-Backbone interact. energy: -1.424 local terms energy: -458.130344 where: bonds (distance) C4'-P energy: -79.965 bonds (distance) P-C4' energy: -80.830 flat angles C4'-P-C4' energy: -98.950 flat angles P-C4'-P energy: -69.414 tors. eta vs tors. theta energy: -128.972 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: 2 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1471.708481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.708481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.708481 (E_RNA) where: Base-Base interactions energy: -1023.517 where: short stacking energy: -450.227 Base-Backbone interact. energy: -0.508 local terms energy: -447.683443 where: bonds (distance) C4'-P energy: -82.290 bonds (distance) P-C4' energy: -84.060 flat angles C4'-P-C4' energy: -87.632 flat angles P-C4'-P energy: -62.585 tors. eta vs tors. theta energy: -131.117 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: 453 Temperature: 1.050000 Total energy: -1434.329393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.329393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.329393 (E_RNA) where: Base-Base interactions energy: -1007.408 where: short stacking energy: -405.084 Base-Backbone interact. energy: -2.756 local terms energy: -424.165891 where: bonds (distance) C4'-P energy: -76.703 bonds (distance) P-C4' energy: -88.742 flat angles C4'-P-C4' energy: -82.955 flat angles P-C4'-P energy: -65.360 tors. eta vs tors. theta energy: -110.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -1408.803787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.803787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.803787 (E_RNA) where: Base-Base interactions energy: -973.683 where: short stacking energy: -427.903 Base-Backbone interact. energy: -0.986 local terms energy: -434.134526 where: bonds (distance) C4'-P energy: -80.330 bonds (distance) P-C4' energy: -73.909 flat angles C4'-P-C4' energy: -92.274 flat angles P-C4'-P energy: -60.878 tors. eta vs tors. theta energy: -126.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1269.373819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.373819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.373819 (E_RNA) where: Base-Base interactions energy: -912.750 where: short stacking energy: -381.676 Base-Backbone interact. energy: -0.256 local terms energy: -356.367918 where: bonds (distance) C4'-P energy: -48.199 bonds (distance) P-C4' energy: -73.498 flat angles C4'-P-C4' energy: -82.845 flat angles P-C4'-P energy: -51.994 tors. eta vs tors. theta energy: -99.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1249.057564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.057564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.057564 (E_RNA) where: Base-Base interactions energy: -875.877 where: short stacking energy: -371.296 Base-Backbone interact. energy: -0.176 local terms energy: -373.004393 where: bonds (distance) C4'-P energy: -73.843 bonds (distance) P-C4' energy: -72.138 flat angles C4'-P-C4' energy: -79.443 flat angles P-C4'-P energy: -50.854 tors. eta vs tors. theta energy: -96.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -945.607100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.607100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.607100 (E_RNA) where: Base-Base interactions energy: -634.103 where: short stacking energy: -269.008 Base-Backbone interact. energy: 0.973 local terms energy: -312.476308 where: bonds (distance) C4'-P energy: -67.147 bonds (distance) P-C4' energy: -54.398 flat angles C4'-P-C4' energy: -81.004 flat angles P-C4'-P energy: -52.090 tors. eta vs tors. theta energy: -57.837 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: 5 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -755.879222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.879222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.879222 (E_RNA) where: Base-Base interactions energy: -459.221 where: short stacking energy: -237.944 Base-Backbone interact. energy: -0.555 local terms energy: -296.102907 where: bonds (distance) C4'-P energy: -55.241 bonds (distance) P-C4' energy: -84.896 flat angles C4'-P-C4' energy: -70.615 flat angles P-C4'-P energy: -40.970 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: 10, replica: 4 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -338.497207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.497207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.497207 (E_RNA) where: Base-Base interactions energy: -120.654 where: short stacking energy: -101.851 Base-Backbone interact. energy: -2.049 local terms energy: -215.793966 where: bonds (distance) C4'-P energy: -69.015 bonds (distance) P-C4' energy: -71.623 flat angles C4'-P-C4' energy: -58.890 flat angles P-C4'-P energy: -33.540 tors. eta vs tors. theta energy: 17.273 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: 3 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1583.300923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.300923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.300923 (E_RNA) where: Base-Base interactions energy: -1121.454 where: short stacking energy: -439.789 Base-Backbone interact. energy: 0.334 local terms energy: -462.180600 where: bonds (distance) C4'-P energy: -95.719 bonds (distance) P-C4' energy: -82.519 flat angles C4'-P-C4' energy: -90.625 flat angles P-C4'-P energy: -69.969 tors. eta vs tors. theta energy: -123.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1511.580483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.580483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.580483 (E_RNA) where: Base-Base interactions energy: -1072.138 where: short stacking energy: -441.574 Base-Backbone interact. energy: -1.417 local terms energy: -438.025035 where: bonds (distance) C4'-P energy: -75.022 bonds (distance) P-C4' energy: -82.192 flat angles C4'-P-C4' energy: -97.541 flat angles P-C4'-P energy: -56.118 tors. eta vs tors. theta energy: -127.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1494.905563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.905563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.905563 (E_RNA) where: Base-Base interactions energy: -1062.107 where: short stacking energy: -430.680 Base-Backbone interact. energy: 2.537 local terms energy: -435.334711 where: bonds (distance) C4'-P energy: -80.538 bonds (distance) P-C4' energy: -81.737 flat angles C4'-P-C4' energy: -92.875 flat angles P-C4'-P energy: -57.706 tors. eta vs tors. theta energy: -122.479 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: 454 Temperature: 1.050000 Total energy: -1412.640177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.640177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.640177 (E_RNA) where: Base-Base interactions energy: -1004.506 where: short stacking energy: -432.458 Base-Backbone interact. energy: -0.719 local terms energy: -407.414318 where: bonds (distance) C4'-P energy: -80.006 bonds (distance) P-C4' energy: -74.523 flat angles C4'-P-C4' energy: -91.059 flat angles P-C4'-P energy: -47.552 tors. eta vs tors. theta energy: -114.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -1368.194273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.194273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.194273 (E_RNA) where: Base-Base interactions energy: -942.458 where: short stacking energy: -409.003 Base-Backbone interact. energy: -1.362 local terms energy: -424.374344 where: bonds (distance) C4'-P energy: -72.825 bonds (distance) P-C4' energy: -85.070 flat angles C4'-P-C4' energy: -88.142 flat angles P-C4'-P energy: -63.412 tors. eta vs tors. theta energy: -114.925 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: 9 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -1300.600756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.600756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.600756 (E_RNA) where: Base-Base interactions energy: -929.432 where: short stacking energy: -412.692 Base-Backbone interact. energy: 3.956 local terms energy: -375.124561 where: bonds (distance) C4'-P energy: -70.469 bonds (distance) P-C4' energy: -62.000 flat angles C4'-P-C4' energy: -87.849 flat angles P-C4'-P energy: -49.353 tors. eta vs tors. theta energy: -105.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1223.660940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.660940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.660940 (E_RNA) where: Base-Base interactions energy: -843.984 where: short stacking energy: -379.325 Base-Backbone interact. energy: -2.826 local terms energy: -376.850041 where: bonds (distance) C4'-P energy: -75.216 bonds (distance) P-C4' energy: -80.320 flat angles C4'-P-C4' energy: -84.383 flat angles P-C4'-P energy: -41.749 tors. eta vs tors. theta energy: -95.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -965.674827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.674827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.674827 (E_RNA) where: Base-Base interactions energy: -653.601 where: short stacking energy: -258.184 Base-Backbone interact. energy: -0.362 local terms energy: -311.711512 where: bonds (distance) C4'-P energy: -60.252 bonds (distance) P-C4' energy: -74.052 flat angles C4'-P-C4' energy: -71.072 flat angles P-C4'-P energy: -51.464 tors. eta vs tors. theta energy: -54.871 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: 5 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -707.057747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.057747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.057747 (E_RNA) where: Base-Base interactions energy: -430.837 where: short stacking energy: -204.775 Base-Backbone interact. energy: 0.381 local terms energy: -276.601656 where: bonds (distance) C4'-P energy: -71.791 bonds (distance) P-C4' energy: -74.262 flat angles C4'-P-C4' energy: -68.508 flat angles P-C4'-P energy: -39.840 tors. eta vs tors. theta energy: -22.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -357.942001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.942001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.942001 (E_RNA) where: Base-Base interactions energy: -126.832 where: short stacking energy: -118.180 Base-Backbone interact. energy: -0.678 local terms energy: -230.432132 where: bonds (distance) C4'-P energy: -71.139 bonds (distance) P-C4' energy: -79.641 flat angles C4'-P-C4' energy: -62.651 flat angles P-C4'-P energy: -33.991 tors. eta vs tors. theta energy: 16.990 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: 1, replica: 3 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1583.178658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.178658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.178658 (E_RNA) where: Base-Base interactions energy: -1115.035 where: short stacking energy: -431.892 Base-Backbone interact. energy: -2.971 local terms energy: -465.172834 where: bonds (distance) C4'-P energy: -89.450 bonds (distance) P-C4' energy: -86.846 flat angles C4'-P-C4' energy: -93.903 flat angles P-C4'-P energy: -73.615 tors. eta vs tors. theta energy: -121.358 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: 455 Temperature: 0.950000 Total energy: -1524.502969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.502969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.502969 (E_RNA) where: Base-Base interactions energy: -1072.514 where: short stacking energy: -411.380 Base-Backbone interact. energy: -4.913 local terms energy: -447.075724 where: bonds (distance) C4'-P energy: -80.711 bonds (distance) P-C4' energy: -88.392 flat angles C4'-P-C4' energy: -94.824 flat angles P-C4'-P energy: -66.969 tors. eta vs tors. theta energy: -116.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1473.786049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.786049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.786049 (E_RNA) where: Base-Base interactions energy: -1034.269 where: short stacking energy: -459.753 Base-Backbone interact. energy: 0.577 local terms energy: -440.093879 where: bonds (distance) C4'-P energy: -84.558 bonds (distance) P-C4' energy: -69.821 flat angles C4'-P-C4' energy: -104.280 flat angles P-C4'-P energy: -58.773 tors. eta vs tors. theta energy: -122.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -1407.122499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.122499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.122499 (E_RNA) where: Base-Base interactions energy: -974.384 where: short stacking energy: -422.651 Base-Backbone interact. energy: -0.078 local terms energy: -432.660976 where: bonds (distance) C4'-P energy: -79.880 bonds (distance) P-C4' energy: -72.325 flat angles C4'-P-C4' energy: -95.699 flat angles P-C4'-P energy: -60.711 tors. eta vs tors. theta energy: -124.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -1399.783491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.783491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.783491 (E_RNA) where: Base-Base interactions energy: -993.787 where: short stacking energy: -436.607 Base-Backbone interact. energy: -1.597 local terms energy: -404.399947 where: bonds (distance) C4'-P energy: -68.815 bonds (distance) P-C4' energy: -64.228 flat angles C4'-P-C4' energy: -86.791 flat angles P-C4'-P energy: -68.510 tors. eta vs tors. theta energy: -116.056 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: 9 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -1249.250659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.250659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.250659 (E_RNA) where: Base-Base interactions energy: -890.573 where: short stacking energy: -378.598 Base-Backbone interact. energy: -2.162 local terms energy: -356.516099 where: bonds (distance) C4'-P energy: -59.059 bonds (distance) P-C4' energy: -76.891 flat angles C4'-P-C4' energy: -83.546 flat angles P-C4'-P energy: -43.995 tors. eta vs tors. theta energy: -93.026 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: 6 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1215.829289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.829289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.829289 (E_RNA) where: Base-Base interactions energy: -825.061 where: short stacking energy: -368.984 Base-Backbone interact. energy: -0.892 local terms energy: -389.876016 where: bonds (distance) C4'-P energy: -67.090 bonds (distance) P-C4' energy: -80.764 flat angles C4'-P-C4' energy: -87.644 flat angles P-C4'-P energy: -51.757 tors. eta vs tors. theta energy: -102.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1011.303921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.303921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.303921 (E_RNA) where: Base-Base interactions energy: -671.308 where: short stacking energy: -300.585 Base-Backbone interact. energy: 3.738 local terms energy: -343.733905 where: bonds (distance) C4'-P energy: -81.811 bonds (distance) P-C4' energy: -74.132 flat angles C4'-P-C4' energy: -77.685 flat angles P-C4'-P energy: -51.154 tors. eta vs tors. theta energy: -58.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -734.274466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.274466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.274466 (E_RNA) where: Base-Base interactions energy: -465.621 where: short stacking energy: -220.066 Base-Backbone interact. energy: 2.666 local terms energy: -271.320039 where: bonds (distance) C4'-P energy: -73.692 bonds (distance) P-C4' energy: -72.364 flat angles C4'-P-C4' energy: -69.648 flat angles P-C4'-P energy: -36.028 tors. eta vs tors. theta energy: -19.587 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: 4 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -403.013757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.013757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.013757 (E_RNA) where: Base-Base interactions energy: -172.806 where: short stacking energy: -116.434 Base-Backbone interact. energy: -0.304 local terms energy: -229.903287 where: bonds (distance) C4'-P energy: -70.265 bonds (distance) P-C4' energy: -64.173 flat angles C4'-P-C4' energy: -73.724 flat angles P-C4'-P energy: -25.402 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: 1, replica: 3 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1595.825711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.825711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.825711 (E_RNA) where: Base-Base interactions energy: -1122.216 where: short stacking energy: -452.251 Base-Backbone interact. energy: -2.559 local terms energy: -471.050459 where: bonds (distance) C4'-P energy: -78.268 bonds (distance) P-C4' energy: -93.393 flat angles C4'-P-C4' energy: -103.937 flat angles P-C4'-P energy: -69.785 tors. eta vs tors. theta energy: -125.668 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: 1 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1502.148148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.148148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.148148 (E_RNA) where: Base-Base interactions energy: -1082.340 where: short stacking energy: -430.315 Base-Backbone interact. energy: -1.010 local terms energy: -418.798469 where: bonds (distance) C4'-P energy: -73.964 bonds (distance) P-C4' energy: -74.937 flat angles C4'-P-C4' energy: -89.896 flat angles P-C4'-P energy: -65.403 tors. eta vs tors. theta energy: -114.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1474.606562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.606562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.606562 (E_RNA) where: Base-Base interactions energy: -1036.254 where: short stacking energy: -451.790 Base-Backbone interact. energy: -1.722 local terms energy: -436.630528 where: bonds (distance) C4'-P energy: -88.292 bonds (distance) P-C4' energy: -74.721 flat angles C4'-P-C4' energy: -92.238 flat angles P-C4'-P energy: -52.244 tors. eta vs tors. theta energy: -129.137 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: 10 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -1410.580632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.580632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.580632 (E_RNA) where: Base-Base interactions energy: -984.737 where: short stacking energy: -424.692 Base-Backbone interact. energy: -0.829 local terms energy: -425.013997 where: bonds (distance) C4'-P energy: -78.998 bonds (distance) P-C4' energy: -68.458 flat angles C4'-P-C4' energy: -96.549 flat angles P-C4'-P energy: -51.777 tors. eta vs tors. theta energy: -129.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -1373.635595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.635595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.635595 (E_RNA) where: Base-Base interactions energy: -982.638 where: short stacking energy: -426.196 Base-Backbone interact. energy: 1.644 local terms energy: -392.641409 where: bonds (distance) C4'-P energy: -63.037 bonds (distance) P-C4' energy: -69.094 flat angles C4'-P-C4' energy: -86.664 flat angles P-C4'-P energy: -54.889 tors. eta vs tors. theta energy: -118.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1306.328867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.328867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.328867 (E_RNA) where: Base-Base interactions energy: -925.964 where: short stacking energy: -391.657 Base-Backbone interact. energy: 2.744 local terms energy: -383.108002 where: bonds (distance) C4'-P energy: -58.206 bonds (distance) P-C4' energy: -79.663 flat angles C4'-P-C4' energy: -75.759 flat angles P-C4'-P energy: -64.938 tors. eta vs tors. theta energy: -104.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1215.332763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.332763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.332763 (E_RNA) where: Base-Base interactions energy: -852.787 where: short stacking energy: -368.590 Base-Backbone interact. energy: -1.732 local terms energy: -360.813687 where: bonds (distance) C4'-P energy: -63.587 bonds (distance) P-C4' energy: -85.149 flat angles C4'-P-C4' energy: -73.985 flat angles P-C4'-P energy: -45.452 tors. eta vs tors. theta energy: -92.641 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: 7 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -997.168201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.168201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.168201 (E_RNA) where: Base-Base interactions energy: -665.717 where: short stacking energy: -296.685 Base-Backbone interact. energy: 0.219 local terms energy: -331.670114 where: bonds (distance) C4'-P energy: -81.268 bonds (distance) P-C4' energy: -63.987 flat angles C4'-P-C4' energy: -76.992 flat angles P-C4'-P energy: -48.723 tors. eta vs tors. theta energy: -60.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -722.109852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.109852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.109852 (E_RNA) where: Base-Base interactions energy: -437.814 where: short stacking energy: -206.030 Base-Backbone interact. energy: 1.659 local terms energy: -285.954354 where: bonds (distance) C4'-P energy: -56.549 bonds (distance) P-C4' energy: -66.132 flat angles C4'-P-C4' energy: -82.222 flat angles P-C4'-P energy: -52.754 tors. eta vs tors. theta energy: -28.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -407.980800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.980800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.980800 (E_RNA) where: Base-Base interactions energy: -197.104 where: short stacking energy: -138.613 Base-Backbone interact. energy: 1.855 local terms energy: -212.731007 where: bonds (distance) C4'-P energy: -65.056 bonds (distance) P-C4' energy: -78.402 flat angles C4'-P-C4' energy: -39.530 flat angles P-C4'-P energy: -33.307 tors. eta vs tors. theta energy: 3.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1586.160498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.160498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.160498 (E_RNA) where: Base-Base interactions energy: -1120.794 where: short stacking energy: -454.021 Base-Backbone interact. energy: -1.858 local terms energy: -463.507641 where: bonds (distance) C4'-P energy: -82.551 bonds (distance) P-C4' energy: -92.757 flat angles C4'-P-C4' energy: -93.102 flat angles P-C4'-P energy: -69.163 tors. eta vs tors. theta energy: -125.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1494.172628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.172628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.172628 (E_RNA) where: Base-Base interactions energy: -1051.464 where: short stacking energy: -442.274 Base-Backbone interact. energy: -1.206 local terms energy: -441.502541 where: bonds (distance) C4'-P energy: -83.503 bonds (distance) P-C4' energy: -75.510 flat angles C4'-P-C4' energy: -94.049 flat angles P-C4'-P energy: -65.312 tors. eta vs tors. theta energy: -123.128 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: 1 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1465.244804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.244804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.244804 (E_RNA) where: Base-Base interactions energy: -1058.805 where: short stacking energy: -425.232 Base-Backbone interact. energy: -0.675 local terms energy: -405.764424 where: bonds (distance) C4'-P energy: -78.862 bonds (distance) P-C4' energy: -73.204 flat angles C4'-P-C4' energy: -86.806 flat angles P-C4'-P energy: -59.413 tors. eta vs tors. theta energy: -107.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -1427.357252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.357252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.357252 (E_RNA) where: Base-Base interactions energy: -996.715 where: short stacking energy: -430.788 Base-Backbone interact. energy: -1.668 local terms energy: -428.974077 where: bonds (distance) C4'-P energy: -81.448 bonds (distance) P-C4' energy: -66.145 flat angles C4'-P-C4' energy: -91.101 flat angles P-C4'-P energy: -67.499 tors. eta vs tors. theta energy: -122.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -1348.022402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.022402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.022402 (E_RNA) where: Base-Base interactions energy: -940.631 where: short stacking energy: -398.749 Base-Backbone interact. energy: -2.469 local terms energy: -404.922870 where: bonds (distance) C4'-P energy: -69.143 bonds (distance) P-C4' energy: -71.888 flat angles C4'-P-C4' energy: -96.133 flat angles P-C4'-P energy: -52.915 tors. eta vs tors. theta energy: -114.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1318.500878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.500878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.500878 (E_RNA) where: Base-Base interactions energy: -911.934 where: short stacking energy: -395.626 Base-Backbone interact. energy: -1.685 local terms energy: -404.882627 where: bonds (distance) C4'-P energy: -73.973 bonds (distance) P-C4' energy: -78.149 flat angles C4'-P-C4' energy: -93.375 flat angles P-C4'-P energy: -51.559 tors. eta vs tors. theta energy: -107.826 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: 6 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1225.279067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.279067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.279067 (E_RNA) where: Base-Base interactions energy: -884.448 where: short stacking energy: -370.641 Base-Backbone interact. energy: -0.254 local terms energy: -340.577364 where: bonds (distance) C4'-P energy: -72.006 bonds (distance) P-C4' energy: -56.440 flat angles C4'-P-C4' energy: -77.942 flat angles P-C4'-P energy: -40.917 tors. eta vs tors. theta energy: -93.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -994.224574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.224574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.224574 (E_RNA) where: Base-Base interactions energy: -669.700 where: short stacking energy: -283.556 Base-Backbone interact. energy: -1.988 local terms energy: -322.537380 where: bonds (distance) C4'-P energy: -64.777 bonds (distance) P-C4' energy: -68.419 flat angles C4'-P-C4' energy: -75.228 flat angles P-C4'-P energy: -45.657 tors. eta vs tors. theta energy: -68.456 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: 5 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -745.524248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.524248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.524248 (E_RNA) where: Base-Base interactions energy: -438.039 where: short stacking energy: -219.485 Base-Backbone interact. energy: -1.424 local terms energy: -306.061632 where: bonds (distance) C4'-P energy: -61.605 bonds (distance) P-C4' energy: -79.554 flat angles C4'-P-C4' energy: -73.843 flat angles P-C4'-P energy: -43.986 tors. eta vs tors. theta energy: -47.074 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: 4 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -358.853403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.853403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.853403 (E_RNA) where: Base-Base interactions energy: -130.068 where: short stacking energy: -120.175 Base-Backbone interact. energy: 0.086 local terms energy: -228.871793 where: bonds (distance) C4'-P energy: -69.348 bonds (distance) P-C4' energy: -68.439 flat angles C4'-P-C4' energy: -54.344 flat angles P-C4'-P energy: -38.000 tors. eta vs tors. theta energy: 1.259 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: 3 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1581.486491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.486491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.486491 (E_RNA) where: Base-Base interactions energy: -1135.947 where: short stacking energy: -427.323 Base-Backbone interact. energy: -0.640 local terms energy: -444.899440 where: bonds (distance) C4'-P energy: -81.186 bonds (distance) P-C4' energy: -89.714 flat angles C4'-P-C4' energy: -94.355 flat angles P-C4'-P energy: -65.077 tors. eta vs tors. theta energy: -114.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1486.516681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.516681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.516681 (E_RNA) where: Base-Base interactions energy: -1026.421 where: short stacking energy: -448.214 Base-Backbone interact. energy: -0.690 local terms energy: -459.405857 where: bonds (distance) C4'-P energy: -74.769 bonds (distance) P-C4' energy: -90.028 flat angles C4'-P-C4' energy: -102.573 flat angles P-C4'-P energy: -62.832 tors. eta vs tors. theta energy: -129.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1480.713429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.713429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.713429 (E_RNA) where: Base-Base interactions energy: -1052.753 where: short stacking energy: -404.460 Base-Backbone interact. energy: 2.573 local terms energy: -430.533200 where: bonds (distance) C4'-P energy: -86.491 bonds (distance) P-C4' energy: -79.799 flat angles C4'-P-C4' energy: -89.690 flat angles P-C4'-P energy: -65.017 tors. eta vs tors. theta energy: -109.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -1410.460963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.460963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.460963 (E_RNA) where: Base-Base interactions energy: -978.985 where: short stacking energy: -430.123 Base-Backbone interact. energy: -3.651 local terms energy: -427.825490 where: bonds (distance) C4'-P energy: -84.859 bonds (distance) P-C4' energy: -71.028 flat angles C4'-P-C4' energy: -86.610 flat angles P-C4'-P energy: -57.268 tors. eta vs tors. theta energy: -128.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -1358.026998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.026998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.026998 (E_RNA) where: Base-Base interactions energy: -955.129 where: short stacking energy: -408.283 Base-Backbone interact. energy: -0.096 local terms energy: -402.801784 where: bonds (distance) C4'-P energy: -72.399 bonds (distance) P-C4' energy: -74.616 flat angles C4'-P-C4' energy: -90.266 flat angles P-C4'-P energy: -57.620 tors. eta vs tors. theta energy: -107.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1262.898708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.898708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.898708 (E_RNA) where: Base-Base interactions energy: -888.746 where: short stacking energy: -367.580 Base-Backbone interact. energy: 1.925 local terms energy: -376.077913 where: bonds (distance) C4'-P energy: -66.124 bonds (distance) P-C4' energy: -66.100 flat angles C4'-P-C4' energy: -88.828 flat angles P-C4'-P energy: -55.219 tors. eta vs tors. theta energy: -99.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1234.745284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.745284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.745284 (E_RNA) where: Base-Base interactions energy: -879.689 where: short stacking energy: -362.485 Base-Backbone interact. energy: -1.633 local terms energy: -353.423342 where: bonds (distance) C4'-P energy: -65.568 bonds (distance) P-C4' energy: -71.046 flat angles C4'-P-C4' energy: -82.311 flat angles P-C4'-P energy: -46.332 tors. eta vs tors. theta energy: -88.167 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: 7 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1052.008516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.008516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.008516 (E_RNA) where: Base-Base interactions energy: -731.239 where: short stacking energy: -307.971 Base-Backbone interact. energy: -1.989 local terms energy: -318.780739 where: bonds (distance) C4'-P energy: -45.733 bonds (distance) P-C4' energy: -70.445 flat angles C4'-P-C4' energy: -73.446 flat angles P-C4'-P energy: -56.010 tors. eta vs tors. theta energy: -73.146 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: 5 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -789.699873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.699873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.699873 (E_RNA) where: Base-Base interactions energy: -492.275 where: short stacking energy: -240.728 Base-Backbone interact. energy: -1.715 local terms energy: -295.709192 where: bonds (distance) C4'-P energy: -65.959 bonds (distance) P-C4' energy: -75.152 flat angles C4'-P-C4' energy: -82.331 flat angles P-C4'-P energy: -32.996 tors. eta vs tors. theta energy: -39.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -359.769238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.769238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.769238 (E_RNA) where: Base-Base interactions energy: -133.839 where: short stacking energy: -123.821 Base-Backbone interact. energy: 1.548 local terms energy: -227.477880 where: bonds (distance) C4'-P energy: -67.780 bonds (distance) P-C4' energy: -58.349 flat angles C4'-P-C4' energy: -68.161 flat angles P-C4'-P energy: -37.592 tors. eta vs tors. theta energy: 4.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1590.537726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.537726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.537726 (E_RNA) where: Base-Base interactions energy: -1126.980 where: short stacking energy: -453.249 Base-Backbone interact. energy: -2.138 local terms energy: -461.420015 where: bonds (distance) C4'-P energy: -93.546 bonds (distance) P-C4' energy: -88.497 flat angles C4'-P-C4' energy: -94.526 flat angles P-C4'-P energy: -66.470 tors. eta vs tors. theta energy: -118.381 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: 8 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1485.007458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.007458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.007458 (E_RNA) where: Base-Base interactions energy: -1028.297 where: short stacking energy: -429.103 Base-Backbone interact. energy: -0.434 local terms energy: -456.275839 where: bonds (distance) C4'-P energy: -87.582 bonds (distance) P-C4' energy: -89.120 flat angles C4'-P-C4' energy: -97.554 flat angles P-C4'-P energy: -60.666 tors. eta vs tors. theta energy: -121.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -1506.698439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.698439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.698439 (E_RNA) where: Base-Base interactions energy: -1060.769 where: short stacking energy: -437.298 Base-Backbone interact. energy: 0.008 local terms energy: -445.937895 where: bonds (distance) C4'-P energy: -84.275 bonds (distance) P-C4' energy: -87.463 flat angles C4'-P-C4' energy: -92.501 flat angles P-C4'-P energy: -64.463 tors. eta vs tors. theta energy: -117.236 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: 10 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -1435.690633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.690633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.690633 (E_RNA) where: Base-Base interactions energy: -1009.368 where: short stacking energy: -447.823 Base-Backbone interact. energy: 0.071 local terms energy: -426.393528 where: bonds (distance) C4'-P energy: -72.045 bonds (distance) P-C4' energy: -75.556 flat angles C4'-P-C4' energy: -92.612 flat angles P-C4'-P energy: -59.338 tors. eta vs tors. theta energy: -126.842 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: 2 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -1359.846649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.846649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.846649 (E_RNA) where: Base-Base interactions energy: -954.623 where: short stacking energy: -395.528 Base-Backbone interact. energy: 2.199 local terms energy: -407.421960 where: bonds (distance) C4'-P energy: -81.867 bonds (distance) P-C4' energy: -63.667 flat angles C4'-P-C4' energy: -87.084 flat angles P-C4'-P energy: -63.478 tors. eta vs tors. theta energy: -111.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -1229.276446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.276446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.276446 (E_RNA) where: Base-Base interactions energy: -846.276 where: short stacking energy: -352.550 Base-Backbone interact. energy: -2.465 local terms energy: -380.534770 where: bonds (distance) C4'-P energy: -70.702 bonds (distance) P-C4' energy: -80.427 flat angles C4'-P-C4' energy: -88.376 flat angles P-C4'-P energy: -54.786 tors. eta vs tors. theta energy: -86.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1238.262861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.262861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.262861 (E_RNA) where: Base-Base interactions energy: -885.671 where: short stacking energy: -378.942 Base-Backbone interact. energy: -1.184 local terms energy: -351.408002 where: bonds (distance) C4'-P energy: -67.885 bonds (distance) P-C4' energy: -72.986 flat angles C4'-P-C4' energy: -69.401 flat angles P-C4'-P energy: -41.859 tors. eta vs tors. theta energy: -99.277 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: 7 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -987.012773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.012773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.012773 (E_RNA) where: Base-Base interactions energy: -692.196 where: short stacking energy: -311.410 Base-Backbone interact. energy: -1.197 local terms energy: -293.620398 where: bonds (distance) C4'-P energy: -53.434 bonds (distance) P-C4' energy: -48.850 flat angles C4'-P-C4' energy: -70.695 flat angles P-C4'-P energy: -44.122 tors. eta vs tors. theta energy: -76.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -790.283992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.283992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.283992 (E_RNA) where: Base-Base interactions energy: -502.327 where: short stacking energy: -251.226 Base-Backbone interact. energy: -0.206 local terms energy: -287.751060 where: bonds (distance) C4'-P energy: -64.144 bonds (distance) P-C4' energy: -62.373 flat angles C4'-P-C4' energy: -71.095 flat angles P-C4'-P energy: -44.471 tors. eta vs tors. theta energy: -45.668 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: 4 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -358.139531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.139531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.139531 (E_RNA) where: Base-Base interactions energy: -143.562 where: short stacking energy: -105.293 Base-Backbone interact. energy: 0.023 local terms energy: -214.600417 where: bonds (distance) C4'-P energy: -66.481 bonds (distance) P-C4' energy: -75.971 flat angles C4'-P-C4' energy: -55.769 flat angles P-C4'-P energy: -30.784 tors. eta vs tors. theta energy: 14.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1574.620937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.620937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.620937 (E_RNA) where: Base-Base interactions energy: -1148.333 where: short stacking energy: -447.051 Base-Backbone interact. energy: 1.228 local terms energy: -427.516223 where: bonds (distance) C4'-P energy: -76.978 bonds (distance) P-C4' energy: -79.167 flat angles C4'-P-C4' energy: -92.753 flat angles P-C4'-P energy: -61.252 tors. eta vs tors. theta energy: -117.368 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: 8 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1507.205456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.205456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.205456 (E_RNA) where: Base-Base interactions energy: -1073.892 where: short stacking energy: -453.955 Base-Backbone interact. energy: -1.123 local terms energy: -432.190455 where: bonds (distance) C4'-P energy: -68.511 bonds (distance) P-C4' energy: -81.526 flat angles C4'-P-C4' energy: -92.270 flat angles P-C4'-P energy: -65.789 tors. eta vs tors. theta energy: -124.094 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: 3, replica: 1 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1492.954472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.954472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.954472 (E_RNA) where: Base-Base interactions energy: -1062.734 where: short stacking energy: -431.871 Base-Backbone interact. energy: -0.958 local terms energy: -429.262648 where: bonds (distance) C4'-P energy: -85.644 bonds (distance) P-C4' energy: -77.298 flat angles C4'-P-C4' energy: -91.328 flat angles P-C4'-P energy: -58.780 tors. eta vs tors. theta energy: -116.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -1427.465858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.465858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.465858 (E_RNA) where: Base-Base interactions energy: -1001.871 where: short stacking energy: -442.334 Base-Backbone interact. energy: -0.210 local terms energy: -425.384417 where: bonds (distance) C4'-P energy: -73.907 bonds (distance) P-C4' energy: -66.333 flat angles C4'-P-C4' energy: -100.777 flat angles P-C4'-P energy: -51.207 tors. eta vs tors. theta energy: -133.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -1348.892168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.892168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.892168 (E_RNA) where: Base-Base interactions energy: -940.626 where: short stacking energy: -397.095 Base-Backbone interact. energy: -1.797 local terms energy: -406.468900 where: bonds (distance) C4'-P energy: -73.370 bonds (distance) P-C4' energy: -73.145 flat angles C4'-P-C4' energy: -86.200 flat angles P-C4'-P energy: -67.230 tors. eta vs tors. theta energy: -106.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -1156.598757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.598757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.598757 (E_RNA) where: Base-Base interactions energy: -833.832 where: short stacking energy: -329.690 Base-Backbone interact. energy: -2.799 local terms energy: -319.967948 where: bonds (distance) C4'-P energy: -66.894 bonds (distance) P-C4' energy: -69.398 flat angles C4'-P-C4' energy: -65.760 flat angles P-C4'-P energy: -49.986 tors. eta vs tors. theta energy: -67.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1280.883664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.883664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.883664 (E_RNA) where: Base-Base interactions energy: -904.080 where: short stacking energy: -387.718 Base-Backbone interact. energy: -2.380 local terms energy: -374.424142 where: bonds (distance) C4'-P energy: -69.694 bonds (distance) P-C4' energy: -65.271 flat angles C4'-P-C4' energy: -89.597 flat angles P-C4'-P energy: -43.479 tors. eta vs tors. theta energy: -106.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -991.340368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.340368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.340368 (E_RNA) where: Base-Base interactions energy: -659.055 where: short stacking energy: -277.703 Base-Backbone interact. energy: -0.328 local terms energy: -331.957762 where: bonds (distance) C4'-P energy: -72.317 bonds (distance) P-C4' energy: -82.928 flat angles C4'-P-C4' energy: -71.317 flat angles P-C4'-P energy: -40.655 tors. eta vs tors. theta energy: -64.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -769.317283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.317283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.317283 (E_RNA) where: Base-Base interactions energy: -499.343 where: short stacking energy: -250.479 Base-Backbone interact. energy: 4.838 local terms energy: -274.812104 where: bonds (distance) C4'-P energy: -57.071 bonds (distance) P-C4' energy: -69.542 flat angles C4'-P-C4' energy: -61.753 flat angles P-C4'-P energy: -40.841 tors. eta vs tors. theta energy: -45.605 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: 10, replica: 4 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -369.702451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.702451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.702451 (E_RNA) where: Base-Base interactions energy: -141.333 where: short stacking energy: -128.307 Base-Backbone interact. energy: 4.265 local terms energy: -232.635017 where: bonds (distance) C4'-P energy: -85.079 bonds (distance) P-C4' energy: -74.923 flat angles C4'-P-C4' energy: -69.994 flat angles P-C4'-P energy: -11.035 tors. eta vs tors. theta energy: 8.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1596.057471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.057471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.057471 (E_RNA) where: Base-Base interactions energy: -1141.073 where: short stacking energy: -453.072 Base-Backbone interact. energy: -3.251 local terms energy: -451.733532 where: bonds (distance) C4'-P energy: -88.779 bonds (distance) P-C4' energy: -89.458 flat angles C4'-P-C4' energy: -88.970 flat angles P-C4'-P energy: -64.633 tors. eta vs tors. theta energy: -119.895 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: 2, replica: 1 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1520.220174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.220174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.220174 (E_RNA) where: Base-Base interactions energy: -1081.765 where: short stacking energy: -433.104 Base-Backbone interact. energy: -6.462 local terms energy: -431.993608 where: bonds (distance) C4'-P energy: -80.864 bonds (distance) P-C4' energy: -74.100 flat angles C4'-P-C4' energy: -86.267 flat angles P-C4'-P energy: -69.738 tors. eta vs tors. theta energy: -121.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1435.367345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.367345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.367345 (E_RNA) where: Base-Base interactions energy: -997.281 where: short stacking energy: -435.735 Base-Backbone interact. energy: -1.190 local terms energy: -436.896517 where: bonds (distance) C4'-P energy: -75.560 bonds (distance) P-C4' energy: -85.034 flat angles C4'-P-C4' energy: -91.079 flat angles P-C4'-P energy: -67.870 tors. eta vs tors. theta energy: -117.354 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: 4, replica: 10 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -1450.466912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.466912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.466912 (E_RNA) where: Base-Base interactions energy: -1002.867 where: short stacking energy: -455.982 Base-Backbone interact. energy: -0.500 local terms energy: -447.100464 where: bonds (distance) C4'-P energy: -76.924 bonds (distance) P-C4' energy: -76.168 flat angles C4'-P-C4' energy: -98.164 flat angles P-C4'-P energy: -59.538 tors. eta vs tors. theta energy: -136.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -1322.297436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.297436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.297436 (E_RNA) where: Base-Base interactions energy: -924.258 where: short stacking energy: -389.010 Base-Backbone interact. energy: -1.893 local terms energy: -396.146688 where: bonds (distance) C4'-P energy: -73.167 bonds (distance) P-C4' energy: -75.510 flat angles C4'-P-C4' energy: -90.742 flat angles P-C4'-P energy: -56.303 tors. eta vs tors. theta energy: -100.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1298.847654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.847654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.847654 (E_RNA) where: Base-Base interactions energy: -897.626 where: short stacking energy: -375.628 Base-Backbone interact. energy: -2.118 local terms energy: -399.104054 where: bonds (distance) C4'-P energy: -79.005 bonds (distance) P-C4' energy: -71.688 flat angles C4'-P-C4' energy: -86.166 flat angles P-C4'-P energy: -60.742 tors. eta vs tors. theta energy: -101.503 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: 7, replica: 6 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1176.547044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.547044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.547044 (E_RNA) where: Base-Base interactions energy: -796.030 where: short stacking energy: -341.210 Base-Backbone interact. energy: 0.106 local terms energy: -380.623427 where: bonds (distance) C4'-P energy: -81.311 bonds (distance) P-C4' energy: -77.636 flat angles C4'-P-C4' energy: -85.739 flat angles P-C4'-P energy: -49.908 tors. eta vs tors. theta energy: -86.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -990.335368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.335368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.335368 (E_RNA) where: Base-Base interactions energy: -689.696 where: short stacking energy: -303.927 Base-Backbone interact. energy: -0.365 local terms energy: -300.274358 where: bonds (distance) C4'-P energy: -63.004 bonds (distance) P-C4' energy: -58.232 flat angles C4'-P-C4' energy: -73.554 flat angles P-C4'-P energy: -37.878 tors. eta vs tors. theta energy: -67.607 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: 9, replica: 5 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -772.816052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.816052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.816052 (E_RNA) where: Base-Base interactions energy: -473.319 where: short stacking energy: -222.543 Base-Backbone interact. energy: -2.803 local terms energy: -296.693652 where: bonds (distance) C4'-P energy: -74.818 bonds (distance) P-C4' energy: -62.371 flat angles C4'-P-C4' energy: -65.329 flat angles P-C4'-P energy: -55.731 tors. eta vs tors. theta energy: -38.445 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: 10, replica: 4 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -344.477315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.477315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.477315 (E_RNA) where: Base-Base interactions energy: -132.770 where: short stacking energy: -103.769 Base-Backbone interact. energy: 3.349 local terms energy: -215.056084 where: bonds (distance) C4'-P energy: -74.287 bonds (distance) P-C4' energy: -65.861 flat angles C4'-P-C4' energy: -47.104 flat angles P-C4'-P energy: -31.682 tors. eta vs tors. theta energy: 3.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -1589.667575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.667575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.667575 (E_RNA) where: Base-Base interactions energy: -1121.419 where: short stacking energy: -441.844 Base-Backbone interact. energy: -1.616 local terms energy: -466.632391 where: bonds (distance) C4'-P energy: -86.482 bonds (distance) P-C4' energy: -84.146 flat angles C4'-P-C4' energy: -100.565 flat angles P-C4'-P energy: -69.807 tors. eta vs tors. theta energy: -125.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1510.191269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.191269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.191269 (E_RNA) where: Base-Base interactions energy: -1072.888 where: short stacking energy: -442.636 Base-Backbone interact. energy: -1.005 local terms energy: -436.298410 where: bonds (distance) C4'-P energy: -77.698 bonds (distance) P-C4' energy: -74.034 flat angles C4'-P-C4' energy: -95.350 flat angles P-C4'-P energy: -65.847 tors. eta vs tors. theta energy: -123.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1443.325006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.325006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.325006 (E_RNA) where: Base-Base interactions energy: -1023.114 where: short stacking energy: -414.458 Base-Backbone interact. energy: -0.668 local terms energy: -419.543736 where: bonds (distance) C4'-P energy: -77.219 bonds (distance) P-C4' energy: -70.143 flat angles C4'-P-C4' energy: -99.451 flat angles P-C4'-P energy: -52.893 tors. eta vs tors. theta energy: -119.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -1421.879503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.879503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.879503 (E_RNA) where: Base-Base interactions energy: -989.219 where: short stacking energy: -458.396 Base-Backbone interact. energy: 0.224 local terms energy: -432.884803 where: bonds (distance) C4'-P energy: -61.190 bonds (distance) P-C4' energy: -78.398 flat angles C4'-P-C4' energy: -97.796 flat angles P-C4'-P energy: -66.863 tors. eta vs tors. theta energy: -128.638 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: 2 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -1340.058205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.058205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.058205 (E_RNA) where: Base-Base interactions energy: -949.130 where: short stacking energy: -394.105 Base-Backbone interact. energy: 0.616 local terms energy: -391.544632 where: bonds (distance) C4'-P energy: -72.992 bonds (distance) P-C4' energy: -76.193 flat angles C4'-P-C4' energy: -77.905 flat angles P-C4'-P energy: -53.898 tors. eta vs tors. theta energy: -110.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1283.354335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.354335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.354335 (E_RNA) where: Base-Base interactions energy: -910.932 where: short stacking energy: -384.823 Base-Backbone interact. energy: 0.380 local terms energy: -372.801994 where: bonds (distance) C4'-P energy: -65.842 bonds (distance) P-C4' energy: -81.328 flat angles C4'-P-C4' energy: -74.198 flat angles P-C4'-P energy: -51.518 tors. eta vs tors. theta energy: -99.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1159.254158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.254158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.254158 (E_RNA) where: Base-Base interactions energy: -811.740 where: short stacking energy: -339.082 Base-Backbone interact. energy: -1.987 local terms energy: -345.527136 where: bonds (distance) C4'-P energy: -71.358 bonds (distance) P-C4' energy: -70.091 flat angles C4'-P-C4' energy: -77.623 flat angles P-C4'-P energy: -52.299 tors. eta vs tors. theta energy: -74.156 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: 8, replica: 7 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -1019.049538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.049538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.049538 (E_RNA) where: Base-Base interactions energy: -679.615 where: short stacking energy: -303.432 Base-Backbone interact. energy: -0.129 local terms energy: -339.305147 where: bonds (distance) C4'-P energy: -58.279 bonds (distance) P-C4' energy: -79.631 flat angles C4'-P-C4' energy: -82.937 flat angles P-C4'-P energy: -48.407 tors. eta vs tors. theta energy: -70.051 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: 462 Temperature: 1.300000 Total energy: -762.877639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.877639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.877639 (E_RNA) where: Base-Base interactions energy: -502.696 where: short stacking energy: -247.034 Base-Backbone interact. energy: 0.955 local terms energy: -261.136671 where: bonds (distance) C4'-P energy: -53.669 bonds (distance) P-C4' energy: -72.530 flat angles C4'-P-C4' energy: -63.405 flat angles P-C4'-P energy: -35.477 tors. eta vs tors. theta energy: -36.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -348.300985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.300985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.300985 (E_RNA) where: Base-Base interactions energy: -125.835 where: short stacking energy: -108.784 Base-Backbone interact. energy: 2.240 local terms energy: -224.705902 where: bonds (distance) C4'-P energy: -76.998 bonds (distance) P-C4' energy: -72.494 flat angles C4'-P-C4' energy: -56.281 flat angles P-C4'-P energy: -30.648 tors. eta vs tors. theta energy: 11.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1568.468101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.468101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.468101 (E_RNA) where: Base-Base interactions energy: -1114.950 where: short stacking energy: -417.900 Base-Backbone interact. energy: -1.023 local terms energy: -452.495745 where: bonds (distance) C4'-P energy: -81.609 bonds (distance) P-C4' energy: -90.886 flat angles C4'-P-C4' energy: -96.138 flat angles P-C4'-P energy: -70.616 tors. eta vs tors. theta energy: -113.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1533.255422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.255422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.255422 (E_RNA) where: Base-Base interactions energy: -1103.685 where: short stacking energy: -442.006 Base-Backbone interact. energy: -2.841 local terms energy: -426.728955 where: bonds (distance) C4'-P energy: -69.213 bonds (distance) P-C4' energy: -85.763 flat angles C4'-P-C4' energy: -95.071 flat angles P-C4'-P energy: -53.448 tors. eta vs tors. theta energy: -123.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1453.771046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.771046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.771046 (E_RNA) where: Base-Base interactions energy: -1025.347 where: short stacking energy: -438.117 Base-Backbone interact. energy: -1.727 local terms energy: -426.696829 where: bonds (distance) C4'-P energy: -75.351 bonds (distance) P-C4' energy: -70.765 flat angles C4'-P-C4' energy: -88.977 flat angles P-C4'-P energy: -64.300 tors. eta vs tors. theta energy: -127.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -1383.034464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.034464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.034464 (E_RNA) where: Base-Base interactions energy: -955.617 where: short stacking energy: -418.204 Base-Backbone interact. energy: -3.341 local terms energy: -424.076477 where: bonds (distance) C4'-P energy: -74.699 bonds (distance) P-C4' energy: -75.051 flat angles C4'-P-C4' energy: -88.933 flat angles P-C4'-P energy: -58.425 tors. eta vs tors. theta energy: -126.969 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: 2 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -1354.809455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.809455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.809455 (E_RNA) where: Base-Base interactions energy: -957.617 where: short stacking energy: -407.597 Base-Backbone interact. energy: 1.650 local terms energy: -398.841665 where: bonds (distance) C4'-P energy: -79.278 bonds (distance) P-C4' energy: -71.964 flat angles C4'-P-C4' energy: -77.594 flat angles P-C4'-P energy: -53.167 tors. eta vs tors. theta energy: -116.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1252.866476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.866476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.866476 (E_RNA) where: Base-Base interactions energy: -887.585 where: short stacking energy: -380.320 Base-Backbone interact. energy: -2.836 local terms energy: -362.445564 where: bonds (distance) C4'-P energy: -61.411 bonds (distance) P-C4' energy: -66.949 flat angles C4'-P-C4' energy: -84.795 flat angles P-C4'-P energy: -61.121 tors. eta vs tors. theta energy: -88.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1176.249790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.249790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.249790 (E_RNA) where: Base-Base interactions energy: -791.918 where: short stacking energy: -342.605 Base-Backbone interact. energy: 0.320 local terms energy: -384.652296 where: bonds (distance) C4'-P energy: -77.646 bonds (distance) P-C4' energy: -84.882 flat angles C4'-P-C4' energy: -81.237 flat angles P-C4'-P energy: -55.239 tors. eta vs tors. theta energy: -85.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1028.405455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.405455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.405455 (E_RNA) where: Base-Base interactions energy: -707.352 where: short stacking energy: -298.784 Base-Backbone interact. energy: -2.087 local terms energy: -318.966380 where: bonds (distance) C4'-P energy: -69.449 bonds (distance) P-C4' energy: -48.832 flat angles C4'-P-C4' energy: -78.649 flat angles P-C4'-P energy: -54.389 tors. eta vs tors. theta energy: -67.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -764.062991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.062991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.062991 (E_RNA) where: Base-Base interactions energy: -450.206 where: short stacking energy: -203.600 Base-Backbone interact. energy: -1.674 local terms energy: -312.182980 where: bonds (distance) C4'-P energy: -74.116 bonds (distance) P-C4' energy: -79.702 flat angles C4'-P-C4' energy: -70.816 flat angles P-C4'-P energy: -44.568 tors. eta vs tors. theta energy: -42.981 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: 4 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -414.570659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.570659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.570659 (E_RNA) where: Base-Base interactions energy: -171.718 where: short stacking energy: -121.126 Base-Backbone interact. energy: 8.615 local terms energy: -251.466967 where: bonds (distance) C4'-P energy: -66.747 bonds (distance) P-C4' energy: -81.733 flat angles C4'-P-C4' energy: -69.992 flat angles P-C4'-P energy: -36.818 tors. eta vs tors. theta energy: 3.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1571.139334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.139334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.139334 (E_RNA) where: Base-Base interactions energy: -1111.525 where: short stacking energy: -462.860 Base-Backbone interact. energy: -1.714 local terms energy: -457.900991 where: bonds (distance) C4'-P energy: -76.743 bonds (distance) P-C4' energy: -94.295 flat angles C4'-P-C4' energy: -93.940 flat angles P-C4'-P energy: -66.541 tors. eta vs tors. theta energy: -126.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1548.268532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.268532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.268532 (E_RNA) where: Base-Base interactions energy: -1116.501 where: short stacking energy: -434.377 Base-Backbone interact. energy: -2.442 local terms energy: -429.325357 where: bonds (distance) C4'-P energy: -80.991 bonds (distance) P-C4' energy: -71.135 flat angles C4'-P-C4' energy: -94.505 flat angles P-C4'-P energy: -64.097 tors. eta vs tors. theta energy: -118.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1459.283232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.283232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.283232 (E_RNA) where: Base-Base interactions energy: -1015.062 where: short stacking energy: -441.474 Base-Backbone interact. energy: -2.625 local terms energy: -441.595499 where: bonds (distance) C4'-P energy: -85.072 bonds (distance) P-C4' energy: -80.158 flat angles C4'-P-C4' energy: -93.656 flat angles P-C4'-P energy: -53.416 tors. eta vs tors. theta energy: -129.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -1387.239203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.239203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.239203 (E_RNA) where: Base-Base interactions energy: -954.413 where: short stacking energy: -415.538 Base-Backbone interact. energy: -1.994 local terms energy: -430.831780 where: bonds (distance) C4'-P energy: -81.449 bonds (distance) P-C4' energy: -84.464 flat angles C4'-P-C4' energy: -86.383 flat angles P-C4'-P energy: -58.577 tors. eta vs tors. theta energy: -119.958 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: 2 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -1332.173048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.173048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.173048 (E_RNA) where: Base-Base interactions energy: -936.550 where: short stacking energy: -391.190 Base-Backbone interact. energy: -4.133 local terms energy: -391.490597 where: bonds (distance) C4'-P energy: -68.946 bonds (distance) P-C4' energy: -82.486 flat angles C4'-P-C4' energy: -81.685 flat angles P-C4'-P energy: -63.676 tors. eta vs tors. theta energy: -94.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -1280.927098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.927098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.927098 (E_RNA) where: Base-Base interactions energy: -898.032 where: short stacking energy: -364.052 Base-Backbone interact. energy: -1.950 local terms energy: -380.944716 where: bonds (distance) C4'-P energy: -67.473 bonds (distance) P-C4' energy: -80.956 flat angles C4'-P-C4' energy: -75.379 flat angles P-C4'-P energy: -61.824 tors. eta vs tors. theta energy: -95.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1197.529842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.529842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.529842 (E_RNA) where: Base-Base interactions energy: -856.933 where: short stacking energy: -348.822 Base-Backbone interact. energy: 0.623 local terms energy: -341.220531 where: bonds (distance) C4'-P energy: -66.176 bonds (distance) P-C4' energy: -79.825 flat angles C4'-P-C4' energy: -69.718 flat angles P-C4'-P energy: -44.054 tors. eta vs tors. theta energy: -81.448 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: 7 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1026.860396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.860396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.860396 (E_RNA) where: Base-Base interactions energy: -694.982 where: short stacking energy: -310.042 Base-Backbone interact. energy: -0.091 local terms energy: -331.787279 where: bonds (distance) C4'-P energy: -75.996 bonds (distance) P-C4' energy: -58.726 flat angles C4'-P-C4' energy: -81.690 flat angles P-C4'-P energy: -50.089 tors. eta vs tors. theta energy: -65.287 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: 5 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -779.400967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.400967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.400967 (E_RNA) where: Base-Base interactions energy: -495.104 where: short stacking energy: -215.475 Base-Backbone interact. energy: -0.647 local terms energy: -283.650489 where: bonds (distance) C4'-P energy: -64.920 bonds (distance) P-C4' energy: -58.602 flat angles C4'-P-C4' energy: -73.286 flat angles P-C4'-P energy: -50.563 tors. eta vs tors. theta energy: -36.279 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: 4 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -411.780526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.780526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.780526 (E_RNA) where: Base-Base interactions energy: -180.398 where: short stacking energy: -114.396 Base-Backbone interact. energy: -0.236 local terms energy: -231.146252 where: bonds (distance) C4'-P energy: -80.844 bonds (distance) P-C4' energy: -68.214 flat angles C4'-P-C4' energy: -45.902 flat angles P-C4'-P energy: -42.173 tors. eta vs tors. theta energy: 5.987 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: 1 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1573.690833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.690833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.690833 (E_RNA) where: Base-Base interactions energy: -1128.953 where: short stacking energy: -463.845 Base-Backbone interact. energy: -2.825 local terms energy: -441.912864 where: bonds (distance) C4'-P energy: -61.443 bonds (distance) P-C4' energy: -89.306 flat angles C4'-P-C4' energy: -100.759 flat angles P-C4'-P energy: -64.944 tors. eta vs tors. theta energy: -125.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1568.945327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.945327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.945327 (E_RNA) where: Base-Base interactions energy: -1121.195 where: short stacking energy: -445.620 Base-Backbone interact. energy: 0.322 local terms energy: -448.072799 where: bonds (distance) C4'-P energy: -76.468 bonds (distance) P-C4' energy: -93.221 flat angles C4'-P-C4' energy: -94.771 flat angles P-C4'-P energy: -66.877 tors. eta vs tors. theta energy: -116.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1478.681556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.681556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.681556 (E_RNA) where: Base-Base interactions energy: -1032.635 where: short stacking energy: -455.123 Base-Backbone interact. energy: -0.549 local terms energy: -445.497504 where: bonds (distance) C4'-P energy: -88.276 bonds (distance) P-C4' energy: -78.956 flat angles C4'-P-C4' energy: -97.985 flat angles P-C4'-P energy: -54.715 tors. eta vs tors. theta energy: -125.566 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: 10 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -1388.875787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.875787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.875787 (E_RNA) where: Base-Base interactions energy: -959.504 where: short stacking energy: -443.452 Base-Backbone interact. energy: -2.165 local terms energy: -427.205854 where: bonds (distance) C4'-P energy: -64.190 bonds (distance) P-C4' energy: -77.646 flat angles C4'-P-C4' energy: -92.539 flat angles P-C4'-P energy: -61.590 tors. eta vs tors. theta energy: -131.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -1341.005366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.005366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.005366 (E_RNA) where: Base-Base interactions energy: -933.878 where: short stacking energy: -421.840 Base-Backbone interact. energy: -0.794 local terms energy: -406.333596 where: bonds (distance) C4'-P energy: -72.852 bonds (distance) P-C4' energy: -79.889 flat angles C4'-P-C4' energy: -89.361 flat angles P-C4'-P energy: -55.923 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: 6, replica: 9 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -1286.896593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.896593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.896593 (E_RNA) where: Base-Base interactions energy: -886.287 where: short stacking energy: -379.404 Base-Backbone interact. energy: -1.862 local terms energy: -398.747798 where: bonds (distance) C4'-P energy: -72.857 bonds (distance) P-C4' energy: -81.113 flat angles C4'-P-C4' energy: -95.132 flat angles P-C4'-P energy: -49.649 tors. eta vs tors. theta energy: -99.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1212.846268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.846268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.846268 (E_RNA) where: Base-Base interactions energy: -853.058 where: short stacking energy: -351.988 Base-Backbone interact. energy: -1.331 local terms energy: -358.456934 where: bonds (distance) C4'-P energy: -62.376 bonds (distance) P-C4' energy: -68.339 flat angles C4'-P-C4' energy: -86.445 flat angles P-C4'-P energy: -53.435 tors. eta vs tors. theta energy: -87.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1046.282099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.282099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.282099 (E_RNA) where: Base-Base interactions energy: -726.409 where: short stacking energy: -311.733 Base-Backbone interact. energy: -0.702 local terms energy: -319.171135 where: bonds (distance) C4'-P energy: -49.552 bonds (distance) P-C4' energy: -77.830 flat angles C4'-P-C4' energy: -71.125 flat angles P-C4'-P energy: -39.677 tors. eta vs tors. theta energy: -80.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -819.821593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.821593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.821593 (E_RNA) where: Base-Base interactions energy: -519.527 where: short stacking energy: -265.020 Base-Backbone interact. energy: -0.783 local terms energy: -299.512371 where: bonds (distance) C4'-P energy: -47.169 bonds (distance) P-C4' energy: -78.859 flat angles C4'-P-C4' energy: -77.076 flat angles P-C4'-P energy: -41.707 tors. eta vs tors. theta energy: -54.701 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: 4 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -475.965812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.965812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.965812 (E_RNA) where: Base-Base interactions energy: -237.204 where: short stacking energy: -132.470 Base-Backbone interact. energy: -1.132 local terms energy: -237.629548 where: bonds (distance) C4'-P energy: -72.517 bonds (distance) P-C4' energy: -69.627 flat angles C4'-P-C4' energy: -51.666 flat angles P-C4'-P energy: -32.912 tors. eta vs tors. theta energy: -10.907 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: 1, replica: 1 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1548.169457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.169457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.169457 (E_RNA) where: Base-Base interactions energy: -1093.688 where: short stacking energy: -449.680 Base-Backbone interact. energy: -1.278 local terms energy: -453.204343 where: bonds (distance) C4'-P energy: -92.830 bonds (distance) P-C4' energy: -79.070 flat angles C4'-P-C4' energy: -92.218 flat angles P-C4'-P energy: -62.616 tors. eta vs tors. theta energy: -126.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1550.892150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.892150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.892150 (E_RNA) where: Base-Base interactions energy: -1098.815 where: short stacking energy: -436.241 Base-Backbone interact. energy: 1.401 local terms energy: -453.478736 where: bonds (distance) C4'-P energy: -83.522 bonds (distance) P-C4' energy: -87.983 flat angles C4'-P-C4' energy: -97.815 flat angles P-C4'-P energy: -62.083 tors. eta vs tors. theta energy: -122.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1462.816500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.816500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.816500 (E_RNA) where: Base-Base interactions energy: -1025.207 where: short stacking energy: -444.955 Base-Backbone interact. energy: 1.300 local terms energy: -438.909377 where: bonds (distance) C4'-P energy: -81.803 bonds (distance) P-C4' energy: -73.661 flat angles C4'-P-C4' energy: -94.302 flat angles P-C4'-P energy: -59.234 tors. eta vs tors. theta energy: -129.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -1376.675357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.675357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.675357 (E_RNA) where: Base-Base interactions energy: -957.609 where: short stacking energy: -428.125 Base-Backbone interact. energy: -2.177 local terms energy: -416.889798 where: bonds (distance) C4'-P energy: -72.429 bonds (distance) P-C4' energy: -82.471 flat angles C4'-P-C4' energy: -97.123 flat angles P-C4'-P energy: -50.527 tors. eta vs tors. theta energy: -114.339 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: 2 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -1385.073098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.073098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.073098 (E_RNA) where: Base-Base interactions energy: -968.065 where: short stacking energy: -413.332 Base-Backbone interact. energy: -0.234 local terms energy: -416.774531 where: bonds (distance) C4'-P energy: -79.590 bonds (distance) P-C4' energy: -79.921 flat angles C4'-P-C4' energy: -93.409 flat angles P-C4'-P energy: -49.655 tors. eta vs tors. theta energy: -114.198 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: 466 Temperature: 1.150000 Total energy: -1286.333240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.333240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.333240 (E_RNA) where: Base-Base interactions energy: -886.371 where: short stacking energy: -369.234 Base-Backbone interact. energy: 0.739 local terms energy: -400.700830 where: bonds (distance) C4'-P energy: -82.798 bonds (distance) P-C4' energy: -81.057 flat angles C4'-P-C4' energy: -90.755 flat angles P-C4'-P energy: -54.836 tors. eta vs tors. theta energy: -91.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1177.760164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.760164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.760164 (E_RNA) where: Base-Base interactions energy: -837.107 where: short stacking energy: -348.573 Base-Backbone interact. energy: -1.094 local terms energy: -339.559376 where: bonds (distance) C4'-P energy: -63.354 bonds (distance) P-C4' energy: -72.613 flat angles C4'-P-C4' energy: -81.124 flat angles P-C4'-P energy: -45.437 tors. eta vs tors. theta energy: -77.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1079.319435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.319435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.319435 (E_RNA) where: Base-Base interactions energy: -739.743 where: short stacking energy: -319.873 Base-Backbone interact. energy: -3.452 local terms energy: -336.124522 where: bonds (distance) C4'-P energy: -63.676 bonds (distance) P-C4' energy: -69.585 flat angles C4'-P-C4' energy: -69.919 flat angles P-C4'-P energy: -53.591 tors. eta vs tors. theta energy: -79.354 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: 5 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -826.025242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.025242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.025242 (E_RNA) where: Base-Base interactions energy: -532.711 where: short stacking energy: -259.415 Base-Backbone interact. energy: 0.113 local terms energy: -293.426648 where: bonds (distance) C4'-P energy: -64.567 bonds (distance) P-C4' energy: -71.342 flat angles C4'-P-C4' energy: -64.720 flat angles P-C4'-P energy: -42.054 tors. eta vs tors. theta energy: -50.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -506.006412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.006412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.006412 (E_RNA) where: Base-Base interactions energy: -268.488 where: short stacking energy: -150.560 Base-Backbone interact. energy: -1.558 local terms energy: -235.960515 where: bonds (distance) C4'-P energy: -76.792 bonds (distance) P-C4' energy: -58.744 flat angles C4'-P-C4' energy: -59.244 flat angles P-C4'-P energy: -36.048 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: 1, replica: 1 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1544.032824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.032824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.032824 (E_RNA) where: Base-Base interactions energy: -1080.867 where: short stacking energy: -440.180 Base-Backbone interact. energy: -4.618 local terms energy: -458.548376 where: bonds (distance) C4'-P energy: -79.590 bonds (distance) P-C4' energy: -94.708 flat angles C4'-P-C4' energy: -97.022 flat angles P-C4'-P energy: -70.431 tors. eta vs tors. theta energy: -116.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1577.036788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.036788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.036788 (E_RNA) where: Base-Base interactions energy: -1113.945 where: short stacking energy: -430.594 Base-Backbone interact. energy: -1.423 local terms energy: -461.669273 where: bonds (distance) C4'-P energy: -85.508 bonds (distance) P-C4' energy: -85.603 flat angles C4'-P-C4' energy: -100.484 flat angles P-C4'-P energy: -64.477 tors. eta vs tors. theta energy: -125.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1473.546252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.546252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.546252 (E_RNA) where: Base-Base interactions energy: -1015.003 where: short stacking energy: -441.704 Base-Backbone interact. energy: -2.183 local terms energy: -456.360506 where: bonds (distance) C4'-P energy: -81.998 bonds (distance) P-C4' energy: -77.846 flat angles C4'-P-C4' energy: -94.820 flat angles P-C4'-P energy: -66.930 tors. eta vs tors. theta energy: -134.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -1391.899874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.899874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.899874 (E_RNA) where: Base-Base interactions energy: -996.386 where: short stacking energy: -412.411 Base-Backbone interact. energy: -1.326 local terms energy: -394.188009 where: bonds (distance) C4'-P energy: -67.157 bonds (distance) P-C4' energy: -72.568 flat angles C4'-P-C4' energy: -91.473 flat angles P-C4'-P energy: -46.846 tors. eta vs tors. theta energy: -116.144 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: 2 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -1350.354731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.354731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.354731 (E_RNA) where: Base-Base interactions energy: -956.187 where: short stacking energy: -423.460 Base-Backbone interact. energy: 0.274 local terms energy: -394.441841 where: bonds (distance) C4'-P energy: -71.333 bonds (distance) P-C4' energy: -81.079 flat angles C4'-P-C4' energy: -78.076 flat angles P-C4'-P energy: -48.436 tors. eta vs tors. theta energy: -115.518 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: 6 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -1222.649557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.649557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.649557 (E_RNA) where: Base-Base interactions energy: -851.241 where: short stacking energy: -363.758 Base-Backbone interact. energy: -1.915 local terms energy: -369.494173 where: bonds (distance) C4'-P energy: -57.958 bonds (distance) P-C4' energy: -73.620 flat angles C4'-P-C4' energy: -81.367 flat angles P-C4'-P energy: -63.067 tors. eta vs tors. theta energy: -93.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -1211.944707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.944707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.944707 (E_RNA) where: Base-Base interactions energy: -835.095 where: short stacking energy: -346.874 Base-Backbone interact. energy: -0.790 local terms energy: -376.059913 where: bonds (distance) C4'-P energy: -76.745 bonds (distance) P-C4' energy: -63.167 flat angles C4'-P-C4' energy: -85.409 flat angles P-C4'-P energy: -60.633 tors. eta vs tors. theta energy: -90.106 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: 7 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -980.821338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.821338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.821338 (E_RNA) where: Base-Base interactions energy: -692.031 where: short stacking energy: -289.961 Base-Backbone interact. energy: 0.202 local terms energy: -288.992556 where: bonds (distance) C4'-P energy: -51.025 bonds (distance) P-C4' energy: -63.462 flat angles C4'-P-C4' energy: -66.341 flat angles P-C4'-P energy: -35.686 tors. eta vs tors. theta energy: -72.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -793.926509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.926509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.926509 (E_RNA) where: Base-Base interactions energy: -510.241 where: short stacking energy: -233.815 Base-Backbone interact. energy: -0.554 local terms energy: -283.131871 where: bonds (distance) C4'-P energy: -58.405 bonds (distance) P-C4' energy: -69.277 flat angles C4'-P-C4' energy: -68.536 flat angles P-C4'-P energy: -38.055 tors. eta vs tors. theta energy: -48.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -452.948277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.948277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.948277 (E_RNA) where: Base-Base interactions energy: -227.974 where: short stacking energy: -126.358 Base-Backbone interact. energy: 2.033 local terms energy: -227.007411 where: bonds (distance) C4'-P energy: -81.905 bonds (distance) P-C4' energy: -73.252 flat angles C4'-P-C4' energy: -45.013 flat angles P-C4'-P energy: -37.926 tors. eta vs tors. theta energy: 11.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1587.874559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.874559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.874559 (E_RNA) where: Base-Base interactions energy: -1129.134 where: short stacking energy: -438.486 Base-Backbone interact. energy: -2.143 local terms energy: -456.597463 where: bonds (distance) C4'-P energy: -81.692 bonds (distance) P-C4' energy: -81.333 flat angles C4'-P-C4' energy: -99.936 flat angles P-C4'-P energy: -72.889 tors. eta vs tors. theta energy: -120.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1530.933455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.933455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.933455 (E_RNA) where: Base-Base interactions energy: -1068.198 where: short stacking energy: -423.977 Base-Backbone interact. energy: -1.865 local terms energy: -460.870600 where: bonds (distance) C4'-P energy: -83.246 bonds (distance) P-C4' energy: -92.466 flat angles C4'-P-C4' energy: -101.375 flat angles P-C4'-P energy: -65.289 tors. eta vs tors. theta energy: -118.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1465.645223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.645223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.645223 (E_RNA) where: Base-Base interactions energy: -1028.463 where: short stacking energy: -439.694 Base-Backbone interact. energy: -1.294 local terms energy: -435.887285 where: bonds (distance) C4'-P energy: -78.693 bonds (distance) P-C4' energy: -82.518 flat angles C4'-P-C4' energy: -93.608 flat angles P-C4'-P energy: -53.437 tors. eta vs tors. theta energy: -127.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -1409.972614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.972614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.972614 (E_RNA) where: Base-Base interactions energy: -976.972 where: short stacking energy: -432.469 Base-Backbone interact. energy: 3.173 local terms energy: -436.173119 where: bonds (distance) C4'-P energy: -75.343 bonds (distance) P-C4' energy: -78.753 flat angles C4'-P-C4' energy: -90.585 flat angles P-C4'-P energy: -64.600 tors. eta vs tors. theta energy: -126.892 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: 2 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -1366.374966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.374966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.374966 (E_RNA) where: Base-Base interactions energy: -938.606 where: short stacking energy: -390.739 Base-Backbone interact. energy: -1.328 local terms energy: -426.441157 where: bonds (distance) C4'-P energy: -84.732 bonds (distance) P-C4' energy: -73.276 flat angles C4'-P-C4' energy: -90.806 flat angles P-C4'-P energy: -70.692 tors. eta vs tors. theta energy: -106.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -1280.836235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.836235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.836235 (E_RNA) where: Base-Base interactions energy: -890.353 where: short stacking energy: -363.543 Base-Backbone interact. energy: -4.696 local terms energy: -385.787049 where: bonds (distance) C4'-P energy: -55.727 bonds (distance) P-C4' energy: -85.055 flat angles C4'-P-C4' energy: -88.034 flat angles P-C4'-P energy: -55.155 tors. eta vs tors. theta energy: -101.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1223.722825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.722825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.722825 (E_RNA) where: Base-Base interactions energy: -866.371 where: short stacking energy: -358.876 Base-Backbone interact. energy: 0.276 local terms energy: -357.627581 where: bonds (distance) C4'-P energy: -80.301 bonds (distance) P-C4' energy: -60.976 flat angles C4'-P-C4' energy: -77.412 flat angles P-C4'-P energy: -48.982 tors. eta vs tors. theta energy: -89.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -984.219966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.219966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.219966 (E_RNA) where: Base-Base interactions energy: -661.146 where: short stacking energy: -295.228 Base-Backbone interact. energy: 2.375 local terms energy: -325.449182 where: bonds (distance) C4'-P energy: -69.282 bonds (distance) P-C4' energy: -68.155 flat angles C4'-P-C4' energy: -85.286 flat angles P-C4'-P energy: -36.888 tors. eta vs tors. theta energy: -65.838 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: 5 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -814.588449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.588449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.588449 (E_RNA) where: Base-Base interactions energy: -485.829 where: short stacking energy: -245.546 Base-Backbone interact. energy: 0.277 local terms energy: -329.036889 where: bonds (distance) C4'-P energy: -70.744 bonds (distance) P-C4' energy: -75.523 flat angles C4'-P-C4' energy: -86.030 flat angles P-C4'-P energy: -55.190 tors. eta vs tors. theta energy: -41.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -441.609507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.609507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.609507 (E_RNA) where: Base-Base interactions energy: -215.532 where: short stacking energy: -129.838 Base-Backbone interact. energy: 2.652 local terms energy: -228.729359 where: bonds (distance) C4'-P energy: -61.601 bonds (distance) P-C4' energy: -65.929 flat angles C4'-P-C4' energy: -47.627 flat angles P-C4'-P energy: -48.335 tors. eta vs tors. theta energy: -5.237 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: 3 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1575.167303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.167303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.167303 (E_RNA) where: Base-Base interactions energy: -1131.630 where: short stacking energy: -442.660 Base-Backbone interact. energy: -0.340 local terms energy: -443.197248 where: bonds (distance) C4'-P energy: -65.683 bonds (distance) P-C4' energy: -92.294 flat angles C4'-P-C4' energy: -101.556 flat angles P-C4'-P energy: -66.270 tors. eta vs tors. theta energy: -117.394 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: 1 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1486.310325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.310325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.310325 (E_RNA) where: Base-Base interactions energy: -1049.903 where: short stacking energy: -425.648 Base-Backbone interact. energy: -2.478 local terms energy: -433.928977 where: bonds (distance) C4'-P energy: -82.561 bonds (distance) P-C4' energy: -83.497 flat angles C4'-P-C4' energy: -97.839 flat angles P-C4'-P energy: -58.374 tors. eta vs tors. theta energy: -111.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1437.197346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.197346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.197346 (E_RNA) where: Base-Base interactions energy: -993.083 where: short stacking energy: -412.196 Base-Backbone interact. energy: -0.847 local terms energy: -443.267285 where: bonds (distance) C4'-P energy: -81.955 bonds (distance) P-C4' energy: -90.278 flat angles C4'-P-C4' energy: -95.538 flat angles P-C4'-P energy: -44.919 tors. eta vs tors. theta energy: -130.577 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: 10 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1412.910937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.910937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.910937 (E_RNA) where: Base-Base interactions energy: -981.570 where: short stacking energy: -429.229 Base-Backbone interact. energy: -1.228 local terms energy: -430.113131 where: bonds (distance) C4'-P energy: -76.608 bonds (distance) P-C4' energy: -86.186 flat angles C4'-P-C4' energy: -88.276 flat angles P-C4'-P energy: -52.450 tors. eta vs tors. theta energy: -126.593 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: 5, replica: 2 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -1389.224495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.224495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.224495 (E_RNA) where: Base-Base interactions energy: -975.227 where: short stacking energy: -419.146 Base-Backbone interact. energy: -1.012 local terms energy: -412.984993 where: bonds (distance) C4'-P energy: -51.254 bonds (distance) P-C4' energy: -86.545 flat angles C4'-P-C4' energy: -95.830 flat angles P-C4'-P energy: -60.020 tors. eta vs tors. theta energy: -119.337 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: 9 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -1247.984426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.984426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.984426 (E_RNA) where: Base-Base interactions energy: -856.390 where: short stacking energy: -347.732 Base-Backbone interact. energy: -0.826 local terms energy: -390.767977 where: bonds (distance) C4'-P energy: -85.144 bonds (distance) P-C4' energy: -89.553 flat angles C4'-P-C4' energy: -88.530 flat angles P-C4'-P energy: -36.904 tors. eta vs tors. theta energy: -90.637 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: 6 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1248.321836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.321836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.321836 (E_RNA) where: Base-Base interactions energy: -864.368 where: short stacking energy: -363.348 Base-Backbone interact. energy: -1.798 local terms energy: -382.155891 where: bonds (distance) C4'-P energy: -81.215 bonds (distance) P-C4' energy: -78.909 flat angles C4'-P-C4' energy: -72.840 flat angles P-C4'-P energy: -50.200 tors. eta vs tors. theta energy: -98.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -1058.596051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.596051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.596051 (E_RNA) where: Base-Base interactions energy: -727.677 where: short stacking energy: -319.655 Base-Backbone interact. energy: -0.274 local terms energy: -330.645211 where: bonds (distance) C4'-P energy: -56.926 bonds (distance) P-C4' energy: -72.317 flat angles C4'-P-C4' energy: -79.482 flat angles P-C4'-P energy: -39.187 tors. eta vs tors. theta energy: -82.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -816.457518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.457518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.457518 (E_RNA) where: Base-Base interactions energy: -509.551 where: short stacking energy: -241.964 Base-Backbone interact. energy: 0.489 local terms energy: -307.395828 where: bonds (distance) C4'-P energy: -72.345 bonds (distance) P-C4' energy: -76.961 flat angles C4'-P-C4' energy: -64.644 flat angles P-C4'-P energy: -53.064 tors. eta vs tors. theta energy: -40.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -444.012268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.012268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.012268 (E_RNA) where: Base-Base interactions energy: -216.315 where: short stacking energy: -137.761 Base-Backbone interact. energy: -2.040 local terms energy: -225.657779 where: bonds (distance) C4'-P energy: -66.500 bonds (distance) P-C4' energy: -75.178 flat angles C4'-P-C4' energy: -58.848 flat angles P-C4'-P energy: -31.754 tors. eta vs tors. theta energy: 6.622 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: 3 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1577.488541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.488541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.488541 (E_RNA) where: Base-Base interactions energy: -1131.581 where: short stacking energy: -444.938 Base-Backbone interact. energy: -3.944 local terms energy: -441.963895 where: bonds (distance) C4'-P energy: -82.428 bonds (distance) P-C4' energy: -84.616 flat angles C4'-P-C4' energy: -88.999 flat angles P-C4'-P energy: -68.951 tors. eta vs tors. theta energy: -116.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1530.649856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.649856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.649856 (E_RNA) where: Base-Base interactions energy: -1085.511 where: short stacking energy: -451.562 Base-Backbone interact. energy: 1.797 local terms energy: -446.935551 where: bonds (distance) C4'-P energy: -74.132 bonds (distance) P-C4' energy: -84.305 flat angles C4'-P-C4' energy: -95.869 flat angles P-C4'-P energy: -73.134 tors. eta vs tors. theta energy: -119.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1450.488122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.488122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.488122 (E_RNA) where: Base-Base interactions energy: -1026.296 where: short stacking energy: -463.738 Base-Backbone interact. energy: 2.058 local terms energy: -426.250136 where: bonds (distance) C4'-P energy: -70.472 bonds (distance) P-C4' energy: -91.895 flat angles C4'-P-C4' energy: -85.842 flat angles P-C4'-P energy: -42.979 tors. eta vs tors. theta energy: -135.062 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: 10 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -1371.807657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.807657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.807657 (E_RNA) where: Base-Base interactions energy: -943.457 where: short stacking energy: -427.323 Base-Backbone interact. energy: -5.040 local terms energy: -423.310204 where: bonds (distance) C4'-P energy: -76.065 bonds (distance) P-C4' energy: -77.227 flat angles C4'-P-C4' energy: -83.115 flat angles P-C4'-P energy: -63.173 tors. eta vs tors. theta energy: -123.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -1386.298089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.298089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.298089 (E_RNA) where: Base-Base interactions energy: -962.155 where: short stacking energy: -418.816 Base-Backbone interact. energy: -0.821 local terms energy: -423.322104 where: bonds (distance) C4'-P energy: -75.463 bonds (distance) P-C4' energy: -79.932 flat angles C4'-P-C4' energy: -82.828 flat angles P-C4'-P energy: -60.964 tors. eta vs tors. theta energy: -124.134 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: 470 Temperature: 1.150000 Total energy: -1260.759123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.759123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.759123 (E_RNA) where: Base-Base interactions energy: -892.408 where: short stacking energy: -367.357 Base-Backbone interact. energy: -1.226 local terms energy: -367.125184 where: bonds (distance) C4'-P energy: -52.572 bonds (distance) P-C4' energy: -82.604 flat angles C4'-P-C4' energy: -91.822 flat angles P-C4'-P energy: -43.311 tors. eta vs tors. theta energy: -96.816 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: 6 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1296.517796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.517796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.517796 (E_RNA) where: Base-Base interactions energy: -916.899 where: short stacking energy: -382.882 Base-Backbone interact. energy: -1.852 local terms energy: -377.767142 where: bonds (distance) C4'-P energy: -78.162 bonds (distance) P-C4' energy: -71.906 flat angles C4'-P-C4' energy: -91.416 flat angles P-C4'-P energy: -44.683 tors. eta vs tors. theta energy: -91.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1080.157597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.157597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.157597 (E_RNA) where: Base-Base interactions energy: -741.850 where: short stacking energy: -314.143 Base-Backbone interact. energy: 1.347 local terms energy: -339.655219 where: bonds (distance) C4'-P energy: -64.971 bonds (distance) P-C4' energy: -62.093 flat angles C4'-P-C4' energy: -76.975 flat angles P-C4'-P energy: -49.673 tors. eta vs tors. theta energy: -85.943 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: 5 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -779.360724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.360724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.360724 (E_RNA) where: Base-Base interactions energy: -479.646 where: short stacking energy: -228.960 Base-Backbone interact. energy: 0.329 local terms energy: -300.043904 where: bonds (distance) C4'-P energy: -73.076 bonds (distance) P-C4' energy: -69.172 flat angles C4'-P-C4' energy: -74.531 flat angles P-C4'-P energy: -51.400 tors. eta vs tors. theta energy: -31.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -435.841302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.841302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.841302 (E_RNA) where: Base-Base interactions energy: -198.506 where: short stacking energy: -118.567 Base-Backbone interact. energy: -1.854 local terms energy: -235.482090 where: bonds (distance) C4'-P energy: -66.464 bonds (distance) P-C4' energy: -81.848 flat angles C4'-P-C4' energy: -55.913 flat angles P-C4'-P energy: -31.296 tors. eta vs tors. theta energy: 0.040 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: 1, replica: 3 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1571.464373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.464373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.464373 (E_RNA) where: Base-Base interactions energy: -1134.590 where: short stacking energy: -435.371 Base-Backbone interact. energy: -2.361 local terms energy: -434.513531 where: bonds (distance) C4'-P energy: -80.551 bonds (distance) P-C4' energy: -83.131 flat angles C4'-P-C4' energy: -98.603 flat angles P-C4'-P energy: -46.850 tors. eta vs tors. theta energy: -125.378 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: 2, replica: 1 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1502.175964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.175964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.175964 (E_RNA) where: Base-Base interactions energy: -1094.031 where: short stacking energy: -426.515 Base-Backbone interact. energy: -1.594 local terms energy: -406.550973 where: bonds (distance) C4'-P energy: -79.612 bonds (distance) P-C4' energy: -64.022 flat angles C4'-P-C4' energy: -87.648 flat angles P-C4'-P energy: -65.957 tors. eta vs tors. theta energy: -109.312 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: 8 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -1474.178775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.178775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.178775 (E_RNA) where: Base-Base interactions energy: -1024.896 where: short stacking energy: -450.532 Base-Backbone interact. energy: -1.549 local terms energy: -447.733803 where: bonds (distance) C4'-P energy: -77.801 bonds (distance) P-C4' energy: -84.866 flat angles C4'-P-C4' energy: -97.549 flat angles P-C4'-P energy: -61.148 tors. eta vs tors. theta energy: -126.370 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: 2 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -1392.908483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.908483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.908483 (E_RNA) where: Base-Base interactions energy: -983.927 where: short stacking energy: -415.377 Base-Backbone interact. energy: -2.687 local terms energy: -406.294295 where: bonds (distance) C4'-P energy: -79.698 bonds (distance) P-C4' energy: -69.702 flat angles C4'-P-C4' energy: -90.916 flat angles P-C4'-P energy: -53.680 tors. eta vs tors. theta energy: -112.298 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: 5, replica: 10 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -1348.563675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.563675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.563675 (E_RNA) where: Base-Base interactions energy: -914.964 where: short stacking energy: -397.812 Base-Backbone interact. energy: 0.665 local terms energy: -434.264125 where: bonds (distance) C4'-P energy: -82.440 bonds (distance) P-C4' energy: -79.760 flat angles C4'-P-C4' energy: -93.091 flat angles P-C4'-P energy: -68.091 tors. eta vs tors. theta energy: -110.883 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: 6 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -1300.137352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.137352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.137352 (E_RNA) where: Base-Base interactions energy: -920.491 where: short stacking energy: -386.686 Base-Backbone interact. energy: 0.029 local terms energy: -379.675362 where: bonds (distance) C4'-P energy: -60.448 bonds (distance) P-C4' energy: -77.218 flat angles C4'-P-C4' energy: -88.284 flat angles P-C4'-P energy: -49.494 tors. eta vs tors. theta energy: -104.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1211.925799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.925799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.925799 (E_RNA) where: Base-Base interactions energy: -848.708 where: short stacking energy: -369.820 Base-Backbone interact. energy: 0.278 local terms energy: -363.495945 where: bonds (distance) C4'-P energy: -52.947 bonds (distance) P-C4' energy: -87.274 flat angles C4'-P-C4' energy: -78.329 flat angles P-C4'-P energy: -55.034 tors. eta vs tors. theta energy: -89.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -1020.755636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.755636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.755636 (E_RNA) where: Base-Base interactions energy: -699.477 where: short stacking energy: -312.169 Base-Backbone interact. energy: -1.946 local terms energy: -319.332876 where: bonds (distance) C4'-P energy: -57.968 bonds (distance) P-C4' energy: -75.060 flat angles C4'-P-C4' energy: -62.918 flat angles P-C4'-P energy: -51.068 tors. eta vs tors. theta energy: -72.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -775.534563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.534563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.534563 (E_RNA) where: Base-Base interactions energy: -466.240 where: short stacking energy: -238.820 Base-Backbone interact. energy: 2.310 local terms energy: -311.604116 where: bonds (distance) C4'-P energy: -78.529 bonds (distance) P-C4' energy: -68.247 flat angles C4'-P-C4' energy: -71.019 flat angles P-C4'-P energy: -48.622 tors. eta vs tors. theta energy: -45.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -445.862245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.862245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.862245 (E_RNA) where: Base-Base interactions energy: -220.899 where: short stacking energy: -141.230 Base-Backbone interact. energy: -0.090 local terms energy: -224.874116 where: bonds (distance) C4'-P energy: -72.282 bonds (distance) P-C4' energy: -70.770 flat angles C4'-P-C4' energy: -54.351 flat angles P-C4'-P energy: -29.174 tors. eta vs tors. theta energy: 1.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1576.339365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.339365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.339365 (E_RNA) where: Base-Base interactions energy: -1125.352 where: short stacking energy: -445.938 Base-Backbone interact. energy: -1.889 local terms energy: -449.097856 where: bonds (distance) C4'-P energy: -82.966 bonds (distance) P-C4' energy: -96.442 flat angles C4'-P-C4' energy: -88.876 flat angles P-C4'-P energy: -63.663 tors. eta vs tors. theta energy: -117.151 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: 1 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1522.856776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.856776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.856776 (E_RNA) where: Base-Base interactions energy: -1085.150 where: short stacking energy: -438.143 Base-Backbone interact. energy: -3.330 local terms energy: -434.377242 where: bonds (distance) C4'-P energy: -86.554 bonds (distance) P-C4' energy: -77.131 flat angles C4'-P-C4' energy: -93.469 flat angles P-C4'-P energy: -55.679 tors. eta vs tors. theta energy: -121.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1462.536139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.536139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.536139 (E_RNA) where: Base-Base interactions energy: -1028.458 where: short stacking energy: -431.735 Base-Backbone interact. energy: -1.525 local terms energy: -432.553268 where: bonds (distance) C4'-P energy: -76.140 bonds (distance) P-C4' energy: -74.878 flat angles C4'-P-C4' energy: -91.835 flat angles P-C4'-P energy: -55.642 tors. eta vs tors. theta energy: -134.058 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: 2 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -1384.304186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.304186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.304186 (E_RNA) where: Base-Base interactions energy: -984.251 where: short stacking energy: -405.224 Base-Backbone interact. energy: -0.642 local terms energy: -399.410803 where: bonds (distance) C4'-P energy: -86.550 bonds (distance) P-C4' energy: -66.106 flat angles C4'-P-C4' energy: -87.889 flat angles P-C4'-P energy: -53.667 tors. eta vs tors. theta energy: -105.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -1369.457562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.457562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.457562 (E_RNA) where: Base-Base interactions energy: -950.687 where: short stacking energy: -415.336 Base-Backbone interact. energy: -0.106 local terms energy: -418.664831 where: bonds (distance) C4'-P energy: -73.722 bonds (distance) P-C4' energy: -74.366 flat angles C4'-P-C4' energy: -81.490 flat angles P-C4'-P energy: -61.164 tors. eta vs tors. theta energy: -127.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -1267.499870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.499870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.499870 (E_RNA) where: Base-Base interactions energy: -867.719 where: short stacking energy: -369.232 Base-Backbone interact. energy: -0.071 local terms energy: -399.710554 where: bonds (distance) C4'-P energy: -68.048 bonds (distance) P-C4' energy: -74.497 flat angles C4'-P-C4' energy: -90.069 flat angles P-C4'-P energy: -60.428 tors. eta vs tors. theta energy: -106.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -1204.574778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.574778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.574778 (E_RNA) where: Base-Base interactions energy: -846.586 where: short stacking energy: -361.526 Base-Backbone interact. energy: -1.276 local terms energy: -356.712236 where: bonds (distance) C4'-P energy: -75.597 bonds (distance) P-C4' energy: -70.669 flat angles C4'-P-C4' energy: -84.003 flat angles P-C4'-P energy: -33.707 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: 8, replica: 7 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -981.373572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.373572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.373572 (E_RNA) where: Base-Base interactions energy: -653.975 where: short stacking energy: -280.974 Base-Backbone interact. energy: 0.141 local terms energy: -327.539418 where: bonds (distance) C4'-P energy: -65.973 bonds (distance) P-C4' energy: -74.751 flat angles C4'-P-C4' energy: -75.569 flat angles P-C4'-P energy: -47.719 tors. eta vs tors. theta energy: -63.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -755.895122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.895122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.895122 (E_RNA) where: Base-Base interactions energy: -480.598 where: short stacking energy: -213.466 Base-Backbone interact. energy: -0.706 local terms energy: -274.591572 where: bonds (distance) C4'-P energy: -71.461 bonds (distance) P-C4' energy: -49.312 flat angles C4'-P-C4' energy: -73.474 flat angles P-C4'-P energy: -32.000 tors. eta vs tors. theta energy: -48.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -458.625753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.625753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.625753 (E_RNA) where: Base-Base interactions energy: -206.731 where: short stacking energy: -132.084 Base-Backbone interact. energy: -0.356 local terms energy: -251.539252 where: bonds (distance) C4'-P energy: -64.798 bonds (distance) P-C4' energy: -83.971 flat angles C4'-P-C4' energy: -62.367 flat angles P-C4'-P energy: -41.318 tors. eta vs tors. theta energy: 0.914 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: 3 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -1562.688783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.688783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.688783 (E_RNA) where: Base-Base interactions energy: -1114.694 where: short stacking energy: -444.477 Base-Backbone interact. energy: -1.645 local terms energy: -446.349287 where: bonds (distance) C4'-P energy: -82.496 bonds (distance) P-C4' energy: -87.022 flat angles C4'-P-C4' energy: -97.659 flat angles P-C4'-P energy: -58.735 tors. eta vs tors. theta energy: -120.438 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: 2, replica: 1 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -1498.764003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.764003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.764003 (E_RNA) where: Base-Base interactions energy: -1057.610 where: short stacking energy: -412.625 Base-Backbone interact. energy: -1.452 local terms energy: -439.702322 where: bonds (distance) C4'-P energy: -79.774 bonds (distance) P-C4' energy: -85.215 flat angles C4'-P-C4' energy: -92.914 flat angles P-C4'-P energy: -71.857 tors. eta vs tors. theta energy: -109.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1468.014100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.014100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.014100 (E_RNA) where: Base-Base interactions energy: -1036.659 where: short stacking energy: -458.977 Base-Backbone interact. energy: -2.347 local terms energy: -429.008356 where: bonds (distance) C4'-P energy: -72.569 bonds (distance) P-C4' energy: -83.010 flat angles C4'-P-C4' energy: -87.315 flat angles P-C4'-P energy: -54.569 tors. eta vs tors. theta energy: -131.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -1396.341026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.341026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.341026 (E_RNA) where: Base-Base interactions energy: -966.016 where: short stacking energy: -425.801 Base-Backbone interact. energy: -2.150 local terms energy: -428.175400 where: bonds (distance) C4'-P energy: -69.626 bonds (distance) P-C4' energy: -83.865 flat angles C4'-P-C4' energy: -92.823 flat angles P-C4'-P energy: -65.002 tors. eta vs tors. theta energy: -116.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -1365.023065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.023065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.023065 (E_RNA) where: Base-Base interactions energy: -927.243 where: short stacking energy: -411.081 Base-Backbone interact. energy: -0.619 local terms energy: -437.161465 where: bonds (distance) C4'-P energy: -82.472 bonds (distance) P-C4' energy: -81.205 flat angles C4'-P-C4' energy: -95.732 flat angles P-C4'-P energy: -60.417 tors. eta vs tors. theta energy: -117.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -1307.094344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.094344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.094344 (E_RNA) where: Base-Base interactions energy: -923.948 where: short stacking energy: -412.830 Base-Backbone interact. energy: 0.556 local terms energy: -383.702737 where: bonds (distance) C4'-P energy: -59.853 bonds (distance) P-C4' energy: -75.503 flat angles C4'-P-C4' energy: -88.260 flat angles P-C4'-P energy: -49.456 tors. eta vs tors. theta energy: -110.631 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: 7, replica: 9 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1245.528751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.528751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.528751 (E_RNA) where: Base-Base interactions energy: -875.911 where: short stacking energy: -366.509 Base-Backbone interact. energy: -2.020 local terms energy: -367.598216 where: bonds (distance) C4'-P energy: -72.404 bonds (distance) P-C4' energy: -74.513 flat angles C4'-P-C4' energy: -85.018 flat angles P-C4'-P energy: -51.737 tors. eta vs tors. theta energy: -83.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -995.773297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.773297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.773297 (E_RNA) where: Base-Base interactions energy: -680.815 where: short stacking energy: -304.035 Base-Backbone interact. energy: -1.333 local terms energy: -313.624979 where: bonds (distance) C4'-P energy: -57.216 bonds (distance) P-C4' energy: -65.171 flat angles C4'-P-C4' energy: -70.503 flat angles P-C4'-P energy: -48.670 tors. eta vs tors. theta energy: -72.065 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: 5 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -793.871377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.871377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.871377 (E_RNA) where: Base-Base interactions energy: -499.257 where: short stacking energy: -245.492 Base-Backbone interact. energy: -0.393 local terms energy: -294.221743 where: bonds (distance) C4'-P energy: -65.476 bonds (distance) P-C4' energy: -82.462 flat angles C4'-P-C4' energy: -62.876 flat angles P-C4'-P energy: -43.449 tors. eta vs tors. theta energy: -39.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -420.901265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.901265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.901265 (E_RNA) where: Base-Base interactions energy: -212.935 where: short stacking energy: -133.229 Base-Backbone interact. energy: 2.385 local terms energy: -210.352035 where: bonds (distance) C4'-P energy: -58.400 bonds (distance) P-C4' energy: -70.834 flat angles C4'-P-C4' energy: -58.856 flat angles P-C4'-P energy: -27.452 tors. eta vs tors. theta energy: 5.190 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: 3 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -1572.879586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.879586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.879586 (E_RNA) where: Base-Base interactions energy: -1128.222 where: short stacking energy: -452.345 Base-Backbone interact. energy: -3.275 local terms energy: -441.381875 where: bonds (distance) C4'-P energy: -75.284 bonds (distance) P-C4' energy: -82.862 flat angles C4'-P-C4' energy: -96.510 flat angles P-C4'-P energy: -65.441 tors. eta vs tors. theta energy: -121.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -1501.308320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.308320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.308320 (E_RNA) where: Base-Base interactions energy: -1065.946 where: short stacking energy: -435.804 Base-Backbone interact. energy: 1.985 local terms energy: -437.347482 where: bonds (distance) C4'-P energy: -79.225 bonds (distance) P-C4' energy: -78.601 flat angles C4'-P-C4' energy: -96.944 flat angles P-C4'-P energy: -66.708 tors. eta vs tors. theta energy: -115.870 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: 8 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -1451.633647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.633647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.633647 (E_RNA) where: Base-Base interactions energy: -1011.594 where: short stacking energy: -438.528 Base-Backbone interact. energy: -0.146 local terms energy: -439.894069 where: bonds (distance) C4'-P energy: -77.098 bonds (distance) P-C4' energy: -78.425 flat angles C4'-P-C4' energy: -96.114 flat angles P-C4'-P energy: -57.658 tors. eta vs tors. theta energy: -130.600 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: 10 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -1399.881658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.881658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.881658 (E_RNA) where: Base-Base interactions energy: -958.883 where: short stacking energy: -444.143 Base-Backbone interact. energy: 0.285 local terms energy: -441.283176 where: bonds (distance) C4'-P energy: -76.611 bonds (distance) P-C4' energy: -78.918 flat angles C4'-P-C4' energy: -90.007 flat angles P-C4'-P energy: -69.404 tors. eta vs tors. theta energy: -126.343 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: 2 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -1387.780966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.780966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.780966 (E_RNA) where: Base-Base interactions energy: -964.223 where: short stacking energy: -419.602 Base-Backbone interact. energy: -2.625 local terms energy: -420.933160 where: bonds (distance) C4'-P energy: -72.431 bonds (distance) P-C4' energy: -61.444 flat angles C4'-P-C4' energy: -93.225 flat angles P-C4'-P energy: -66.720 tors. eta vs tors. theta energy: -127.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -1325.251150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.251150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.251150 (E_RNA) where: Base-Base interactions energy: -919.866 where: short stacking energy: -391.947 Base-Backbone interact. energy: -0.923 local terms energy: -404.462236 where: bonds (distance) C4'-P energy: -85.520 bonds (distance) P-C4' energy: -80.250 flat angles C4'-P-C4' energy: -80.756 flat angles P-C4'-P energy: -57.208 tors. eta vs tors. theta energy: -100.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -1185.282593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.282593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.282593 (E_RNA) where: Base-Base interactions energy: -841.479 where: short stacking energy: -369.664 Base-Backbone interact. energy: -1.016 local terms energy: -342.787237 where: bonds (distance) C4'-P energy: -64.841 bonds (distance) P-C4' energy: -65.019 flat angles C4'-P-C4' energy: -75.626 flat angles P-C4'-P energy: -54.887 tors. eta vs tors. theta energy: -82.413 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: 7 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -1001.373822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.373822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.373822 (E_RNA) where: Base-Base interactions energy: -679.862 where: short stacking energy: -287.617 Base-Backbone interact. energy: -1.206 local terms energy: -320.304991 where: bonds (distance) C4'-P energy: -76.554 bonds (distance) P-C4' energy: -59.322 flat angles C4'-P-C4' energy: -71.115 flat angles P-C4'-P energy: -48.555 tors. eta vs tors. theta energy: -64.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -824.427582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.427582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.427582 (E_RNA) where: Base-Base interactions energy: -524.191 where: short stacking energy: -248.177 Base-Backbone interact. energy: -1.522 local terms energy: -298.714418 where: bonds (distance) C4'-P energy: -67.134 bonds (distance) P-C4' energy: -68.935 flat angles C4'-P-C4' energy: -77.075 flat angles P-C4'-P energy: -39.294 tors. eta vs tors. theta energy: -46.276 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: 4 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -602.781352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.781352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.781352 (E_RNA) where: Base-Base interactions energy: -338.939 where: short stacking energy: -194.835 Base-Backbone interact. energy: -1.908 local terms energy: -261.934267 where: bonds (distance) C4'-P energy: -69.475 bonds (distance) P-C4' energy: -68.900 flat angles C4'-P-C4' energy: -62.876 flat angles P-C4'-P energy: -35.113 tors. eta vs tors. theta energy: -25.570 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: 3 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -1568.985998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.985998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.985998 (E_RNA) where: Base-Base interactions energy: -1138.982 where: short stacking energy: -459.792 Base-Backbone interact. energy: -2.150 local terms energy: -427.853914 where: bonds (distance) C4'-P energy: -85.848 bonds (distance) P-C4' energy: -71.399 flat angles C4'-P-C4' energy: -90.588 flat angles P-C4'-P energy: -59.842 tors. eta vs tors. theta energy: -120.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -1487.012691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.012691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.012691 (E_RNA) where: Base-Base interactions energy: -1040.564 where: short stacking energy: -457.910 Base-Backbone interact. energy: -1.931 local terms energy: -444.517883 where: bonds (distance) C4'-P energy: -85.178 bonds (distance) P-C4' energy: -74.613 flat angles C4'-P-C4' energy: -91.901 flat angles P-C4'-P energy: -66.092 tors. eta vs tors. theta energy: -126.734 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: 1 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -1478.225005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.225005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.225005 (E_RNA) where: Base-Base interactions energy: -1030.486 where: short stacking energy: -411.749 Base-Backbone interact. energy: -3.247 local terms energy: -444.491453 where: bonds (distance) C4'-P energy: -88.745 bonds (distance) P-C4' energy: -83.871 flat angles C4'-P-C4' energy: -96.785 flat angles P-C4'-P energy: -53.735 tors. eta vs tors. theta energy: -121.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -1455.398225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.398225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.398225 (E_RNA) where: Base-Base interactions energy: -1026.377 where: short stacking energy: -440.719 Base-Backbone interact. energy: -1.548 local terms energy: -427.473279 where: bonds (distance) C4'-P energy: -71.676 bonds (distance) P-C4' energy: -74.873 flat angles C4'-P-C4' energy: -94.321 flat angles P-C4'-P energy: -63.227 tors. eta vs tors. theta energy: -123.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -1362.568934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.568934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.568934 (E_RNA) where: Base-Base interactions energy: -953.921 where: short stacking energy: -436.105 Base-Backbone interact. energy: -0.633 local terms energy: -408.014164 where: bonds (distance) C4'-P energy: -77.837 bonds (distance) P-C4' energy: -63.360 flat angles C4'-P-C4' energy: -81.802 flat angles P-C4'-P energy: -53.465 tors. eta vs tors. theta energy: -131.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -1325.693852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.693852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.693852 (E_RNA) where: Base-Base interactions energy: -923.391 where: short stacking energy: -400.884 Base-Backbone interact. energy: -0.238 local terms energy: -402.064707 where: bonds (distance) C4'-P energy: -64.526 bonds (distance) P-C4' energy: -80.297 flat angles C4'-P-C4' energy: -86.090 flat angles P-C4'-P energy: -62.766 tors. eta vs tors. theta energy: -108.385 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: 9 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -1195.804030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.804030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.804030 (E_RNA) where: Base-Base interactions energy: -843.528 where: short stacking energy: -363.165 Base-Backbone interact. energy: -1.529 local terms energy: -350.747697 where: bonds (distance) C4'-P energy: -64.753 bonds (distance) P-C4' energy: -75.067 flat angles C4'-P-C4' energy: -77.041 flat angles P-C4'-P energy: -46.722 tors. eta vs tors. theta energy: -87.165 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: 8, replica: 7 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -993.492883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.492883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.492883 (E_RNA) where: Base-Base interactions energy: -664.250 where: short stacking energy: -296.305 Base-Backbone interact. energy: 0.163 local terms energy: -329.405696 where: bonds (distance) C4'-P energy: -66.609 bonds (distance) P-C4' energy: -76.471 flat angles C4'-P-C4' energy: -68.518 flat angles P-C4'-P energy: -47.109 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: 9, replica: 5 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -890.706005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.706005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.706005 (E_RNA) where: Base-Base interactions energy: -552.077 where: short stacking energy: -244.452 Base-Backbone interact. energy: 0.892 local terms energy: -339.520975 where: bonds (distance) C4'-P energy: -73.335 bonds (distance) P-C4' energy: -78.077 flat angles C4'-P-C4' energy: -67.129 flat angles P-C4'-P energy: -58.251 tors. eta vs tors. theta energy: -62.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -622.185829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.185829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.185829 (E_RNA) where: Base-Base interactions energy: -393.391 where: short stacking energy: -191.644 Base-Backbone interact. energy: 4.275 local terms energy: -233.069431 where: bonds (distance) C4'-P energy: -47.880 bonds (distance) P-C4' energy: -76.183 flat angles C4'-P-C4' energy: -51.943 flat angles P-C4'-P energy: -39.955 tors. eta vs tors. theta energy: -17.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -1583.788404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.788404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.788404 (E_RNA) where: Base-Base interactions energy: -1114.370 where: short stacking energy: -443.731 Base-Backbone interact. energy: -3.041 local terms energy: -466.377853 where: bonds (distance) C4'-P energy: -91.171 bonds (distance) P-C4' energy: -79.350 flat angles C4'-P-C4' energy: -103.977 flat angles P-C4'-P energy: -70.334 tors. eta vs tors. theta energy: -121.546 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: 8 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -1478.966581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.966581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.966581 (E_RNA) where: Base-Base interactions energy: -1015.880 where: short stacking energy: -428.823 Base-Backbone interact. energy: -2.406 local terms energy: -460.680259 where: bonds (distance) C4'-P energy: -78.127 bonds (distance) P-C4' energy: -82.357 flat angles C4'-P-C4' energy: -98.140 flat angles P-C4'-P energy: -72.319 tors. eta vs tors. theta energy: -129.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -1459.850550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.850550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.850550 (E_RNA) where: Base-Base interactions energy: -1036.898 where: short stacking energy: -457.008 Base-Backbone interact. energy: -0.548 local terms energy: -422.404327 where: bonds (distance) C4'-P energy: -67.558 bonds (distance) P-C4' energy: -78.420 flat angles C4'-P-C4' energy: -94.852 flat angles P-C4'-P energy: -51.345 tors. eta vs tors. theta energy: -130.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -1430.060099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.060099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.060099 (E_RNA) where: Base-Base interactions energy: -1015.291 where: short stacking energy: -409.914 Base-Backbone interact. energy: 2.127 local terms energy: -416.896214 where: bonds (distance) C4'-P energy: -86.300 bonds (distance) P-C4' energy: -75.477 flat angles C4'-P-C4' energy: -89.546 flat angles P-C4'-P energy: -49.806 tors. eta vs tors. theta energy: -115.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -1344.326010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.326010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.326010 (E_RNA) where: Base-Base interactions energy: -933.035 where: short stacking energy: -414.003 Base-Backbone interact. energy: -1.486 local terms energy: -409.804384 where: bonds (distance) C4'-P energy: -70.153 bonds (distance) P-C4' energy: -80.016 flat angles C4'-P-C4' energy: -89.326 flat angles P-C4'-P energy: -59.395 tors. eta vs tors. theta energy: -110.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -1315.365439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.365439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.365439 (E_RNA) where: Base-Base interactions energy: -948.102 where: short stacking energy: -402.806 Base-Backbone interact. energy: -0.911 local terms energy: -366.352225 where: bonds (distance) C4'-P energy: -65.497 bonds (distance) P-C4' energy: -65.136 flat angles C4'-P-C4' energy: -78.563 flat angles P-C4'-P energy: -48.426 tors. eta vs tors. theta energy: -108.731 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: 476 Temperature: 1.200000 Total energy: -1204.181732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.181732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.181732 (E_RNA) where: Base-Base interactions energy: -838.689 where: short stacking energy: -343.780 Base-Backbone interact. energy: -1.345 local terms energy: -364.148030 where: bonds (distance) C4'-P energy: -75.341 bonds (distance) P-C4' energy: -68.773 flat angles C4'-P-C4' energy: -82.178 flat angles P-C4'-P energy: -48.434 tors. eta vs tors. theta energy: -89.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -1021.752612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.752612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.752612 (E_RNA) where: Base-Base interactions energy: -681.165 where: short stacking energy: -285.244 Base-Backbone interact. energy: -0.670 local terms energy: -339.918118 where: bonds (distance) C4'-P energy: -77.434 bonds (distance) P-C4' energy: -71.452 flat angles C4'-P-C4' energy: -63.859 flat angles P-C4'-P energy: -51.232 tors. eta vs tors. theta energy: -75.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -804.202734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.202734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.202734 (E_RNA) where: Base-Base interactions energy: -499.889 where: short stacking energy: -247.823 Base-Backbone interact. energy: 1.620 local terms energy: -305.934397 where: bonds (distance) C4'-P energy: -78.987 bonds (distance) P-C4' energy: -63.389 flat angles C4'-P-C4' energy: -75.140 flat angles P-C4'-P energy: -43.899 tors. eta vs tors. theta energy: -44.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -617.975681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.975681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.975681 (E_RNA) where: Base-Base interactions energy: -359.520 where: short stacking energy: -176.605 Base-Backbone interact. energy: -0.756 local terms energy: -257.699551 where: bonds (distance) C4'-P energy: -58.250 bonds (distance) P-C4' energy: -73.074 flat angles C4'-P-C4' energy: -59.940 flat angles P-C4'-P energy: -49.889 tors. eta vs tors. theta energy: -16.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -1577.342994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.342994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.342994 (E_RNA) where: Base-Base interactions energy: -1130.459 where: short stacking energy: -438.028 Base-Backbone interact. energy: -3.046 local terms energy: -443.838041 where: bonds (distance) C4'-P energy: -87.119 bonds (distance) P-C4' energy: -78.295 flat angles C4'-P-C4' energy: -98.660 flat angles P-C4'-P energy: -64.979 tors. eta vs tors. theta energy: -114.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -1490.885836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.885836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.885836 (E_RNA) where: Base-Base interactions energy: -1039.822 where: short stacking energy: -460.330 Base-Backbone interact. energy: -0.365 local terms energy: -450.698465 where: bonds (distance) C4'-P energy: -84.833 bonds (distance) P-C4' energy: -78.048 flat angles C4'-P-C4' energy: -93.351 flat angles P-C4'-P energy: -63.120 tors. eta vs tors. theta energy: -131.347 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: 8 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -1442.789166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.789166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.789166 (E_RNA) where: Base-Base interactions energy: -999.964 where: short stacking energy: -436.728 Base-Backbone interact. energy: -2.004 local terms energy: -440.821260 where: bonds (distance) C4'-P energy: -79.269 bonds (distance) P-C4' energy: -74.343 flat angles C4'-P-C4' energy: -100.796 flat angles P-C4'-P energy: -60.624 tors. eta vs tors. theta energy: -125.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -1464.430894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.430894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.430894 (E_RNA) where: Base-Base interactions energy: -1044.404 where: short stacking energy: -409.134 Base-Backbone interact. energy: 1.987 local terms energy: -422.013617 where: bonds (distance) C4'-P energy: -85.486 bonds (distance) P-C4' energy: -67.614 flat angles C4'-P-C4' energy: -86.447 flat angles P-C4'-P energy: -65.454 tors. eta vs tors. theta energy: -117.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -1368.034855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.034855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.034855 (E_RNA) where: Base-Base interactions energy: -959.079 where: short stacking energy: -426.190 Base-Backbone interact. energy: -0.928 local terms energy: -408.028289 where: bonds (distance) C4'-P energy: -72.083 bonds (distance) P-C4' energy: -72.827 flat angles C4'-P-C4' energy: -93.569 flat angles P-C4'-P energy: -47.374 tors. eta vs tors. theta energy: -122.175 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: 6 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -1292.079657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.079657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.079657 (E_RNA) where: Base-Base interactions energy: -885.852 where: short stacking energy: -387.575 Base-Backbone interact. energy: 2.198 local terms energy: -408.425857 where: bonds (distance) C4'-P energy: -73.243 bonds (distance) P-C4' energy: -79.403 flat angles C4'-P-C4' energy: -84.816 flat angles P-C4'-P energy: -65.503 tors. eta vs tors. theta energy: -105.461 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: 9 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -1204.239568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.239568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.239568 (E_RNA) where: Base-Base interactions energy: -820.859 where: short stacking energy: -364.450 Base-Backbone interact. energy: 0.007 local terms energy: -383.387107 where: bonds (distance) C4'-P energy: -76.539 bonds (distance) P-C4' energy: -79.195 flat angles C4'-P-C4' energy: -90.761 flat angles P-C4'-P energy: -47.392 tors. eta vs tors. theta energy: -89.501 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: 7 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -1068.389359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.389359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.389359 (E_RNA) where: Base-Base interactions energy: -715.939 where: short stacking energy: -311.482 Base-Backbone interact. energy: -1.535 local terms energy: -350.915143 where: bonds (distance) C4'-P energy: -78.156 bonds (distance) P-C4' energy: -71.278 flat angles C4'-P-C4' energy: -71.743 flat angles P-C4'-P energy: -46.439 tors. eta vs tors. theta energy: -83.298 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: 5 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -797.019852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.019852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.019852 (E_RNA) where: Base-Base interactions energy: -498.477 where: short stacking energy: -241.644 Base-Backbone interact. energy: -0.473 local terms energy: -298.069930 where: bonds (distance) C4'-P energy: -63.976 bonds (distance) P-C4' energy: -79.044 flat angles C4'-P-C4' energy: -68.129 flat angles P-C4'-P energy: -46.355 tors. eta vs tors. theta energy: -40.566 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: 4 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -577.033455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.033455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.033455 (E_RNA) where: Base-Base interactions energy: -340.214 where: short stacking energy: -162.029 Base-Backbone interact. energy: 5.399 local terms energy: -242.218086 where: bonds (distance) C4'-P energy: -56.918 bonds (distance) P-C4' energy: -70.787 flat angles C4'-P-C4' energy: -70.201 flat angles P-C4'-P energy: -34.554 tors. eta vs tors. theta energy: -9.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -1570.744263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.744263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.744263 (E_RNA) where: Base-Base interactions energy: -1125.235 where: short stacking energy: -453.744 Base-Backbone interact. energy: -3.067 local terms energy: -442.441707 where: bonds (distance) C4'-P energy: -79.155 bonds (distance) P-C4' energy: -84.440 flat angles C4'-P-C4' energy: -90.480 flat angles P-C4'-P energy: -65.933 tors. eta vs tors. theta energy: -122.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -1495.216592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.216592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.216592 (E_RNA) where: Base-Base interactions energy: -1044.687 where: short stacking energy: -445.906 Base-Backbone interact. energy: -0.889 local terms energy: -449.640874 where: bonds (distance) C4'-P energy: -84.241 bonds (distance) P-C4' energy: -84.321 flat angles C4'-P-C4' energy: -93.122 flat angles P-C4'-P energy: -57.124 tors. eta vs tors. theta energy: -130.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -1457.639594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.639594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.639594 (E_RNA) where: Base-Base interactions energy: -1040.269 where: short stacking energy: -448.521 Base-Backbone interact. energy: -0.432 local terms energy: -416.938578 where: bonds (distance) C4'-P energy: -76.841 bonds (distance) P-C4' energy: -72.262 flat angles C4'-P-C4' energy: -88.994 flat angles P-C4'-P energy: -59.595 tors. eta vs tors. theta energy: -119.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -1391.993068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.993068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.993068 (E_RNA) where: Base-Base interactions energy: -967.842 where: short stacking energy: -440.031 Base-Backbone interact. energy: -1.204 local terms energy: -422.946817 where: bonds (distance) C4'-P energy: -63.640 bonds (distance) P-C4' energy: -79.147 flat angles C4'-P-C4' energy: -95.657 flat angles P-C4'-P energy: -60.633 tors. eta vs tors. theta energy: -123.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -1365.439329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.439329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.439329 (E_RNA) where: Base-Base interactions energy: -938.554 where: short stacking energy: -420.900 Base-Backbone interact. energy: -2.016 local terms energy: -424.869084 where: bonds (distance) C4'-P energy: -75.682 bonds (distance) P-C4' energy: -79.205 flat angles C4'-P-C4' energy: -80.727 flat angles P-C4'-P energy: -65.858 tors. eta vs tors. theta energy: -123.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -1334.443129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.443129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.443129 (E_RNA) where: Base-Base interactions energy: -940.326 where: short stacking energy: -391.886 Base-Backbone interact. energy: -2.896 local terms energy: -391.221264 where: bonds (distance) C4'-P energy: -68.495 bonds (distance) P-C4' energy: -75.415 flat angles C4'-P-C4' energy: -80.086 flat angles P-C4'-P energy: -57.837 tors. eta vs tors. theta energy: -109.388 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: 9 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -1217.106257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.106257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.106257 (E_RNA) where: Base-Base interactions energy: -832.697 where: short stacking energy: -363.905 Base-Backbone interact. energy: -0.316 local terms energy: -384.093520 where: bonds (distance) C4'-P energy: -74.860 bonds (distance) P-C4' energy: -65.714 flat angles C4'-P-C4' energy: -88.214 flat angles P-C4'-P energy: -58.393 tors. eta vs tors. theta energy: -96.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -1017.594208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.594208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.594208 (E_RNA) where: Base-Base interactions energy: -688.612 where: short stacking energy: -309.979 Base-Backbone interact. energy: -2.635 local terms energy: -326.347280 where: bonds (distance) C4'-P energy: -49.975 bonds (distance) P-C4' energy: -79.967 flat angles C4'-P-C4' energy: -73.894 flat angles P-C4'-P energy: -41.401 tors. eta vs tors. theta energy: -81.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -838.436217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.436217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.436217 (E_RNA) where: Base-Base interactions energy: -528.873 where: short stacking energy: -259.378 Base-Backbone interact. energy: -0.032 local terms energy: -309.530546 where: bonds (distance) C4'-P energy: -77.519 bonds (distance) P-C4' energy: -78.385 flat angles C4'-P-C4' energy: -60.017 flat angles P-C4'-P energy: -42.186 tors. eta vs tors. theta energy: -51.424 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: 10, replica: 4 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -628.813811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.813811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.813811 (E_RNA) where: Base-Base interactions energy: -376.678 where: short stacking energy: -162.581 Base-Backbone interact. energy: -0.279 local terms energy: -251.857051 where: bonds (distance) C4'-P energy: -66.286 bonds (distance) P-C4' energy: -70.708 flat angles C4'-P-C4' energy: -60.301 flat angles P-C4'-P energy: -38.816 tors. eta vs tors. theta energy: -15.746 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: 1, replica: 3 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -1567.812079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.812079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.812079 (E_RNA) where: Base-Base interactions energy: -1130.738 where: short stacking energy: -446.542 Base-Backbone interact. energy: -1.900 local terms energy: -435.174786 where: bonds (distance) C4'-P energy: -83.035 bonds (distance) P-C4' energy: -82.656 flat angles C4'-P-C4' energy: -100.101 flat angles P-C4'-P energy: -52.470 tors. eta vs tors. theta energy: -116.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -1500.804174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.804174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.804174 (E_RNA) where: Base-Base interactions energy: -1044.500 where: short stacking energy: -427.956 Base-Backbone interact. energy: -2.463 local terms energy: -453.841573 where: bonds (distance) C4'-P energy: -92.301 bonds (distance) P-C4' energy: -89.592 flat angles C4'-P-C4' energy: -89.955 flat angles P-C4'-P energy: -59.687 tors. eta vs tors. theta energy: -122.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -1478.266841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.266841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.266841 (E_RNA) where: Base-Base interactions energy: -1029.112 where: short stacking energy: -456.826 Base-Backbone interact. energy: 1.056 local terms energy: -450.210876 where: bonds (distance) C4'-P energy: -82.601 bonds (distance) P-C4' energy: -71.060 flat angles C4'-P-C4' energy: -100.917 flat angles P-C4'-P energy: -58.820 tors. eta vs tors. theta energy: -136.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -1441.012017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.012017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.012017 (E_RNA) where: Base-Base interactions energy: -994.524 where: short stacking energy: -448.308 Base-Backbone interact. energy: -2.043 local terms energy: -444.445016 where: bonds (distance) C4'-P energy: -73.163 bonds (distance) P-C4' energy: -76.542 flat angles C4'-P-C4' energy: -97.134 flat angles P-C4'-P energy: -59.877 tors. eta vs tors. theta energy: -137.729 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: 10 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -1386.404780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.404780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.404780 (E_RNA) where: Base-Base interactions energy: -969.053 where: short stacking energy: -402.139 Base-Backbone interact. energy: -2.306 local terms energy: -415.045577 where: bonds (distance) C4'-P energy: -72.529 bonds (distance) P-C4' energy: -73.253 flat angles C4'-P-C4' energy: -90.156 flat angles P-C4'-P energy: -63.035 tors. eta vs tors. theta energy: -116.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -1327.633216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.633216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.633216 (E_RNA) where: Base-Base interactions energy: -932.938 where: short stacking energy: -404.076 Base-Backbone interact. energy: -0.750 local terms energy: -393.946007 where: bonds (distance) C4'-P energy: -74.368 bonds (distance) P-C4' energy: -84.394 flat angles C4'-P-C4' energy: -70.134 flat angles P-C4'-P energy: -50.895 tors. eta vs tors. theta energy: -114.155 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: 7, replica: 9 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -1206.970389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.970389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.970389 (E_RNA) where: Base-Base interactions energy: -824.493 where: short stacking energy: -357.979 Base-Backbone interact. energy: 1.386 local terms energy: -383.862526 where: bonds (distance) C4'-P energy: -66.946 bonds (distance) P-C4' energy: -71.861 flat angles C4'-P-C4' energy: -86.568 flat angles P-C4'-P energy: -59.621 tors. eta vs tors. theta energy: -98.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -1017.748803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.748803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.748803 (E_RNA) where: Base-Base interactions energy: -662.036 where: short stacking energy: -295.367 Base-Backbone interact. energy: 1.505 local terms energy: -357.217505 where: bonds (distance) C4'-P energy: -85.057 bonds (distance) P-C4' energy: -73.211 flat angles C4'-P-C4' energy: -81.904 flat angles P-C4'-P energy: -43.898 tors. eta vs tors. theta energy: -73.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -828.035776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.035776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.035776 (E_RNA) where: Base-Base interactions energy: -542.885 where: short stacking energy: -240.435 Base-Backbone interact. energy: -0.583 local terms energy: -284.567183 where: bonds (distance) C4'-P energy: -60.492 bonds (distance) P-C4' energy: -82.035 flat angles C4'-P-C4' energy: -63.982 flat angles P-C4'-P energy: -41.964 tors. eta vs tors. theta energy: -36.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -628.484318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.484318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.484318 (E_RNA) where: Base-Base interactions energy: -358.047 where: short stacking energy: -161.339 Base-Backbone interact. energy: -0.373 local terms energy: -270.064230 where: bonds (distance) C4'-P energy: -78.688 bonds (distance) P-C4' energy: -83.013 flat angles C4'-P-C4' energy: -58.283 flat angles P-C4'-P energy: -33.118 tors. eta vs tors. theta energy: -16.962 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: 3 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -1588.178348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.178348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.178348 (E_RNA) where: Base-Base interactions energy: -1128.079 where: short stacking energy: -468.289 Base-Backbone interact. energy: -3.360 local terms energy: -456.738994 where: bonds (distance) C4'-P energy: -87.936 bonds (distance) P-C4' energy: -81.267 flat angles C4'-P-C4' energy: -100.940 flat angles P-C4'-P energy: -64.291 tors. eta vs tors. theta energy: -122.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -1526.624473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.624473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.624473 (E_RNA) where: Base-Base interactions energy: -1079.223 where: short stacking energy: -466.477 Base-Backbone interact. energy: -5.569 local terms energy: -441.832640 where: bonds (distance) C4'-P energy: -73.173 bonds (distance) P-C4' energy: -74.650 flat angles C4'-P-C4' energy: -93.121 flat angles P-C4'-P energy: -74.578 tors. eta vs tors. theta energy: -126.311 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: 2 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -1476.600389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.600389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.600389 (E_RNA) where: Base-Base interactions energy: -1032.918 where: short stacking energy: -443.360 Base-Backbone interact. energy: 0.200 local terms energy: -443.882106 where: bonds (distance) C4'-P energy: -80.583 bonds (distance) P-C4' energy: -84.141 flat angles C4'-P-C4' energy: -89.675 flat angles P-C4'-P energy: -61.835 tors. eta vs tors. theta energy: -127.648 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: 4, replica: 8 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -1425.905314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.905314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.905314 (E_RNA) where: Base-Base interactions energy: -1002.709 where: short stacking energy: -425.769 Base-Backbone interact. energy: -1.672 local terms energy: -421.524892 where: bonds (distance) C4'-P energy: -72.307 bonds (distance) P-C4' energy: -72.880 flat angles C4'-P-C4' energy: -95.841 flat angles P-C4'-P energy: -61.045 tors. eta vs tors. theta energy: -119.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -1396.631395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.631395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.631395 (E_RNA) where: Base-Base interactions energy: -960.638 where: short stacking energy: -415.853 Base-Backbone interact. energy: -2.163 local terms energy: -433.830134 where: bonds (distance) C4'-P energy: -68.527 bonds (distance) P-C4' energy: -68.641 flat angles C4'-P-C4' energy: -101.453 flat angles P-C4'-P energy: -70.937 tors. eta vs tors. theta energy: -124.272 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: 6 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -1312.386196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.386196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.386196 (E_RNA) where: Base-Base interactions energy: -912.354 where: short stacking energy: -384.625 Base-Backbone interact. energy: 4.199 local terms energy: -404.231028 where: bonds (distance) C4'-P energy: -81.653 bonds (distance) P-C4' energy: -77.926 flat angles C4'-P-C4' energy: -85.236 flat angles P-C4'-P energy: -50.649 tors. eta vs tors. theta energy: -108.767 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: 9 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -1210.614246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.614246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.614246 (E_RNA) where: Base-Base interactions energy: -837.349 where: short stacking energy: -382.100 Base-Backbone interact. energy: -1.799 local terms energy: -371.466826 where: bonds (distance) C4'-P energy: -66.362 bonds (distance) P-C4' energy: -68.614 flat angles C4'-P-C4' energy: -74.899 flat angles P-C4'-P energy: -62.907 tors. eta vs tors. theta energy: -98.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -978.197833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.197833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.197833 (E_RNA) where: Base-Base interactions energy: -671.103 where: short stacking energy: -297.453 Base-Backbone interact. energy: 1.328 local terms energy: -308.422482 where: bonds (distance) C4'-P energy: -65.414 bonds (distance) P-C4' energy: -54.657 flat angles C4'-P-C4' energy: -80.223 flat angles P-C4'-P energy: -47.255 tors. eta vs tors. theta energy: -60.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -622.695512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.695512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.695512 (E_RNA) where: Base-Base interactions energy: -341.278 where: short stacking energy: -164.070 Base-Backbone interact. energy: 1.806 local terms energy: -283.224158 where: bonds (distance) C4'-P energy: -82.352 bonds (distance) P-C4' energy: -73.178 flat angles C4'-P-C4' energy: -50.279 flat angles P-C4'-P energy: -55.123 tors. eta vs tors. theta energy: -22.291 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: 5 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -767.396606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.396606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.396606 (E_RNA) where: Base-Base interactions energy: -479.279 where: short stacking energy: -231.701 Base-Backbone interact. energy: 3.175 local terms energy: -291.292715 where: bonds (distance) C4'-P energy: -76.281 bonds (distance) P-C4' energy: -85.569 flat angles C4'-P-C4' energy: -70.629 flat angles P-C4'-P energy: -19.484 tors. eta vs tors. theta energy: -39.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -1565.098318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.098318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.098318 (E_RNA) where: Base-Base interactions energy: -1105.871 where: short stacking energy: -443.020 Base-Backbone interact. energy: -1.165 local terms energy: -458.062284 where: bonds (distance) C4'-P energy: -92.043 bonds (distance) P-C4' energy: -84.881 flat angles C4'-P-C4' energy: -105.610 flat angles P-C4'-P energy: -61.635 tors. eta vs tors. theta energy: -113.894 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: 1 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -1524.165373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.165373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.165373 (E_RNA) where: Base-Base interactions energy: -1059.938 where: short stacking energy: -448.294 Base-Backbone interact. energy: -3.406 local terms energy: -460.822012 where: bonds (distance) C4'-P energy: -78.147 bonds (distance) P-C4' energy: -89.174 flat angles C4'-P-C4' energy: -103.110 flat angles P-C4'-P energy: -56.609 tors. eta vs tors. theta energy: -133.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -1462.501580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.501580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.501580 (E_RNA) where: Base-Base interactions energy: -1019.975 where: short stacking energy: -456.973 Base-Backbone interact. energy: -3.927 local terms energy: -438.599546 where: bonds (distance) C4'-P energy: -75.142 bonds (distance) P-C4' energy: -73.610 flat angles C4'-P-C4' energy: -100.466 flat angles P-C4'-P energy: -60.230 tors. eta vs tors. theta energy: -129.153 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: 481 Temperature: 1.050000 Total energy: -1441.293624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.293624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.293624 (E_RNA) where: Base-Base interactions energy: -1000.993 where: short stacking energy: -437.532 Base-Backbone interact. energy: -1.057 local terms energy: -439.243347 where: bonds (distance) C4'-P energy: -73.712 bonds (distance) P-C4' energy: -94.186 flat angles C4'-P-C4' energy: -88.366 flat angles P-C4'-P energy: -53.899 tors. eta vs tors. theta energy: -129.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -1389.353487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.353487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.353487 (E_RNA) where: Base-Base interactions energy: -963.842 where: short stacking energy: -433.274 Base-Backbone interact. energy: 1.478 local terms energy: -426.989108 where: bonds (distance) C4'-P energy: -74.225 bonds (distance) P-C4' energy: -75.760 flat angles C4'-P-C4' energy: -92.959 flat angles P-C4'-P energy: -54.851 tors. eta vs tors. theta energy: -129.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -1339.549189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.549189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.549189 (E_RNA) where: Base-Base interactions energy: -939.778 where: short stacking energy: -393.351 Base-Backbone interact. energy: -0.993 local terms energy: -398.778242 where: bonds (distance) C4'-P energy: -72.067 bonds (distance) P-C4' energy: -83.511 flat angles C4'-P-C4' energy: -75.036 flat angles P-C4'-P energy: -61.357 tors. eta vs tors. theta energy: -106.808 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: 9 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -1249.564727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.564727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.564727 (E_RNA) where: Base-Base interactions energy: -872.769 where: short stacking energy: -357.437 Base-Backbone interact. energy: 0.199 local terms energy: -376.994986 where: bonds (distance) C4'-P energy: -70.280 bonds (distance) P-C4' energy: -80.694 flat angles C4'-P-C4' energy: -83.194 flat angles P-C4'-P energy: -50.489 tors. eta vs tors. theta energy: -92.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -1025.025388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.025388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.025388 (E_RNA) where: Base-Base interactions energy: -704.433 where: short stacking energy: -307.506 Base-Backbone interact. energy: -2.529 local terms energy: -318.063446 where: bonds (distance) C4'-P energy: -65.758 bonds (distance) P-C4' energy: -70.216 flat angles C4'-P-C4' energy: -79.944 flat angles P-C4'-P energy: -38.813 tors. eta vs tors. theta energy: -63.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -606.471911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.471911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.471911 (E_RNA) where: Base-Base interactions energy: -337.614 where: short stacking energy: -165.335 Base-Backbone interact. energy: -1.180 local terms energy: -267.678465 where: bonds (distance) C4'-P energy: -57.324 bonds (distance) P-C4' energy: -74.127 flat angles C4'-P-C4' energy: -70.404 flat angles P-C4'-P energy: -49.948 tors. eta vs tors. theta energy: -15.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -789.591684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.591684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.591684 (E_RNA) where: Base-Base interactions energy: -511.267 where: short stacking energy: -219.621 Base-Backbone interact. energy: -2.257 local terms energy: -276.067738 where: bonds (distance) C4'-P energy: -58.023 bonds (distance) P-C4' energy: -75.510 flat angles C4'-P-C4' energy: -64.903 flat angles P-C4'-P energy: -45.856 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: 1, replica: 3 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -1559.837591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.837591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.837591 (E_RNA) where: Base-Base interactions energy: -1095.586 where: short stacking energy: -443.614 Base-Backbone interact. energy: -2.880 local terms energy: -461.371609 where: bonds (distance) C4'-P energy: -84.563 bonds (distance) P-C4' energy: -87.682 flat angles C4'-P-C4' energy: -98.753 flat angles P-C4'-P energy: -71.373 tors. eta vs tors. theta energy: -119.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -1520.454663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.454663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.454663 (E_RNA) where: Base-Base interactions energy: -1084.028 where: short stacking energy: -445.329 Base-Backbone interact. energy: 1.202 local terms energy: -437.628432 where: bonds (distance) C4'-P energy: -74.138 bonds (distance) P-C4' energy: -77.465 flat angles C4'-P-C4' energy: -96.710 flat angles P-C4'-P energy: -69.409 tors. eta vs tors. theta energy: -119.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -1468.173556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.173556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.173556 (E_RNA) where: Base-Base interactions energy: -1019.115 where: short stacking energy: -443.991 Base-Backbone interact. energy: 0.789 local terms energy: -449.847330 where: bonds (distance) C4'-P energy: -80.277 bonds (distance) P-C4' energy: -85.847 flat angles C4'-P-C4' energy: -91.163 flat angles P-C4'-P energy: -67.126 tors. eta vs tors. theta energy: -125.434 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: 4, replica: 8 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -1441.035116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.035116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.035116 (E_RNA) where: Base-Base interactions energy: -1005.395 where: short stacking energy: -413.625 Base-Backbone interact. energy: -0.977 local terms energy: -434.663185 where: bonds (distance) C4'-P energy: -80.714 bonds (distance) P-C4' energy: -84.333 flat angles C4'-P-C4' energy: -85.671 flat angles P-C4'-P energy: -64.650 tors. eta vs tors. theta energy: -119.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -1342.403721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.403721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.403721 (E_RNA) where: Base-Base interactions energy: -945.489 where: short stacking energy: -412.364 Base-Backbone interact. energy: -1.371 local terms energy: -395.543954 where: bonds (distance) C4'-P energy: -75.213 bonds (distance) P-C4' energy: -80.834 flat angles C4'-P-C4' energy: -78.020 flat angles P-C4'-P energy: -43.198 tors. eta vs tors. theta energy: -118.280 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: 6 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -1317.343615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.343615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.343615 (E_RNA) where: Base-Base interactions energy: -915.664 where: short stacking energy: -369.500 Base-Backbone interact. energy: -1.668 local terms energy: -400.011270 where: bonds (distance) C4'-P energy: -73.164 bonds (distance) P-C4' energy: -82.050 flat angles C4'-P-C4' energy: -93.537 flat angles P-C4'-P energy: -55.529 tors. eta vs tors. theta energy: -95.731 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: 482 Temperature: 1.200000 Total energy: -1246.241642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.241642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.241642 (E_RNA) where: Base-Base interactions energy: -892.543 where: short stacking energy: -366.910 Base-Backbone interact. energy: -0.747 local terms energy: -352.950787 where: bonds (distance) C4'-P energy: -73.339 bonds (distance) P-C4' energy: -71.943 flat angles C4'-P-C4' energy: -78.520 flat angles P-C4'-P energy: -43.469 tors. eta vs tors. theta energy: -85.681 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: 8, replica: 7 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -1109.162600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.162600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.162600 (E_RNA) where: Base-Base interactions energy: -758.205 where: short stacking energy: -344.852 Base-Backbone interact. energy: -2.312 local terms energy: -348.645411 where: bonds (distance) C4'-P energy: -67.992 bonds (distance) P-C4' energy: -67.881 flat angles C4'-P-C4' energy: -72.934 flat angles P-C4'-P energy: -49.507 tors. eta vs tors. theta energy: -90.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -810.740749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.740749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.740749 (E_RNA) where: Base-Base interactions energy: -510.576 where: short stacking energy: -223.933 Base-Backbone interact. energy: -2.503 local terms energy: -297.662081 where: bonds (distance) C4'-P energy: -62.799 bonds (distance) P-C4' energy: -68.487 flat angles C4'-P-C4' energy: -73.106 flat angles P-C4'-P energy: -50.293 tors. eta vs tors. theta energy: -42.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -605.244633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.244633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.244633 (E_RNA) where: Base-Base interactions energy: -351.425 where: short stacking energy: -176.065 Base-Backbone interact. energy: -2.237 local terms energy: -251.581911 where: bonds (distance) C4'-P energy: -83.315 bonds (distance) P-C4' energy: -68.237 flat angles C4'-P-C4' energy: -60.365 flat angles P-C4'-P energy: -32.936 tors. eta vs tors. theta energy: -6.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -1586.871125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.871125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.871125 (E_RNA) where: Base-Base interactions energy: -1130.450 where: short stacking energy: -449.513 Base-Backbone interact. energy: -1.251 local terms energy: -455.169530 where: bonds (distance) C4'-P energy: -81.956 bonds (distance) P-C4' energy: -87.877 flat angles C4'-P-C4' energy: -99.029 flat angles P-C4'-P energy: -68.898 tors. eta vs tors. theta energy: -117.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -1512.858654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.858654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.858654 (E_RNA) where: Base-Base interactions energy: -1060.163 where: short stacking energy: -451.466 Base-Backbone interact. energy: 0.476 local terms energy: -453.171993 where: bonds (distance) C4'-P energy: -76.055 bonds (distance) P-C4' energy: -84.337 flat angles C4'-P-C4' energy: -101.059 flat angles P-C4'-P energy: -65.791 tors. eta vs tors. theta energy: -125.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -1483.723307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.723307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.723307 (E_RNA) where: Base-Base interactions energy: -1035.828 where: short stacking energy: -465.114 Base-Backbone interact. energy: -2.069 local terms energy: -445.826546 where: bonds (distance) C4'-P energy: -81.936 bonds (distance) P-C4' energy: -81.701 flat angles C4'-P-C4' energy: -99.632 flat angles P-C4'-P energy: -54.529 tors. eta vs tors. theta energy: -128.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -1451.698519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.698519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.698519 (E_RNA) where: Base-Base interactions energy: -1018.254 where: short stacking energy: -444.585 Base-Backbone interact. energy: -2.777 local terms energy: -430.668138 where: bonds (distance) C4'-P energy: -76.540 bonds (distance) P-C4' energy: -79.562 flat angles C4'-P-C4' energy: -96.432 flat angles P-C4'-P energy: -57.307 tors. eta vs tors. theta energy: -120.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -1371.606279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.606279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.606279 (E_RNA) where: Base-Base interactions energy: -968.540 where: short stacking energy: -419.087 Base-Backbone interact. energy: -1.816 local terms energy: -401.250332 where: bonds (distance) C4'-P energy: -68.934 bonds (distance) P-C4' energy: -73.102 flat angles C4'-P-C4' energy: -83.554 flat angles P-C4'-P energy: -50.152 tors. eta vs tors. theta energy: -125.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -1338.523522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.523522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.523522 (E_RNA) where: Base-Base interactions energy: -917.616 where: short stacking energy: -381.770 Base-Backbone interact. energy: 2.317 local terms energy: -423.224320 where: bonds (distance) C4'-P energy: -86.819 bonds (distance) P-C4' energy: -83.945 flat angles C4'-P-C4' energy: -85.676 flat angles P-C4'-P energy: -64.722 tors. eta vs tors. theta energy: -102.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -1233.061866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.061866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.061866 (E_RNA) where: Base-Base interactions energy: -878.603 where: short stacking energy: -361.601 Base-Backbone interact. energy: -0.970 local terms energy: -353.488818 where: bonds (distance) C4'-P energy: -55.718 bonds (distance) P-C4' energy: -87.091 flat angles C4'-P-C4' energy: -71.602 flat angles P-C4'-P energy: -50.946 tors. eta vs tors. theta energy: -88.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -1079.484646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.484646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.484646 (E_RNA) where: Base-Base interactions energy: -758.589 where: short stacking energy: -316.789 Base-Backbone interact. energy: 7.373 local terms energy: -328.268523 where: bonds (distance) C4'-P energy: -56.712 bonds (distance) P-C4' energy: -81.254 flat angles C4'-P-C4' energy: -65.567 flat angles P-C4'-P energy: -39.471 tors. eta vs tors. theta energy: -85.264 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: 5 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -748.318591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.318591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.318591 (E_RNA) where: Base-Base interactions energy: -445.659 where: short stacking energy: -208.545 Base-Backbone interact. energy: 1.329 local terms energy: -303.989168 where: bonds (distance) C4'-P energy: -78.553 bonds (distance) P-C4' energy: -72.443 flat angles C4'-P-C4' energy: -68.471 flat angles P-C4'-P energy: -46.810 tors. eta vs tors. theta energy: -37.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -554.009797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.009797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.009797 (E_RNA) where: Base-Base interactions energy: -280.946 where: short stacking energy: -133.704 Base-Backbone interact. energy: -0.459 local terms energy: -272.605049 where: bonds (distance) C4'-P energy: -69.228 bonds (distance) P-C4' energy: -75.849 flat angles C4'-P-C4' energy: -73.709 flat angles P-C4'-P energy: -43.023 tors. eta vs tors. theta energy: -10.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -1583.248401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.248401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.248401 (E_RNA) where: Base-Base interactions energy: -1130.804 where: short stacking energy: -453.693 Base-Backbone interact. energy: -1.285 local terms energy: -451.158755 where: bonds (distance) C4'-P energy: -77.574 bonds (distance) P-C4' energy: -87.470 flat angles C4'-P-C4' energy: -98.747 flat angles P-C4'-P energy: -62.636 tors. eta vs tors. theta energy: -124.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -1504.981052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.981052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.981052 (E_RNA) where: Base-Base interactions energy: -1074.646 where: short stacking energy: -446.616 Base-Backbone interact. energy: -0.675 local terms energy: -429.660333 where: bonds (distance) C4'-P energy: -76.442 bonds (distance) P-C4' energy: -65.669 flat angles C4'-P-C4' energy: -93.653 flat angles P-C4'-P energy: -69.048 tors. eta vs tors. theta energy: -124.849 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: 8 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -1501.024896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.024896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.024896 (E_RNA) where: Base-Base interactions energy: -1051.965 where: short stacking energy: -431.210 Base-Backbone interact. energy: -2.313 local terms energy: -446.747087 where: bonds (distance) C4'-P energy: -93.780 bonds (distance) P-C4' energy: -79.223 flat angles C4'-P-C4' energy: -100.811 flat angles P-C4'-P energy: -44.572 tors. eta vs tors. theta energy: -128.362 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: 2 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -1429.848702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.848702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.848702 (E_RNA) where: Base-Base interactions energy: -1020.721 where: short stacking energy: -447.188 Base-Backbone interact. energy: 0.014 local terms energy: -409.141544 where: bonds (distance) C4'-P energy: -72.153 bonds (distance) P-C4' energy: -65.701 flat angles C4'-P-C4' energy: -91.532 flat angles P-C4'-P energy: -55.074 tors. eta vs tors. theta energy: -124.683 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: 10 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -1407.188088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.188088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.188088 (E_RNA) where: Base-Base interactions energy: -981.027 where: short stacking energy: -444.684 Base-Backbone interact. energy: -1.304 local terms energy: -424.857119 where: bonds (distance) C4'-P energy: -76.416 bonds (distance) P-C4' energy: -72.963 flat angles C4'-P-C4' energy: -87.106 flat angles P-C4'-P energy: -55.945 tors. eta vs tors. theta energy: -132.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -1325.286312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.286312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.286312 (E_RNA) where: Base-Base interactions energy: -948.758 where: short stacking energy: -420.975 Base-Backbone interact. energy: -1.394 local terms energy: -375.134117 where: bonds (distance) C4'-P energy: -70.431 bonds (distance) P-C4' energy: -77.178 flat angles C4'-P-C4' energy: -66.004 flat angles P-C4'-P energy: -47.020 tors. eta vs tors. theta energy: -114.501 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: 9 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -1272.835447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.835447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.835447 (E_RNA) where: Base-Base interactions energy: -910.637 where: short stacking energy: -381.723 Base-Backbone interact. energy: -0.482 local terms energy: -361.716398 where: bonds (distance) C4'-P energy: -58.014 bonds (distance) P-C4' energy: -75.119 flat angles C4'-P-C4' energy: -73.898 flat angles P-C4'-P energy: -52.918 tors. eta vs tors. theta energy: -101.767 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: 7 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -1009.442616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.442616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.442616 (E_RNA) where: Base-Base interactions energy: -653.461 where: short stacking energy: -295.368 Base-Backbone interact. energy: -2.434 local terms energy: -353.547697 where: bonds (distance) C4'-P energy: -78.135 bonds (distance) P-C4' energy: -65.198 flat angles C4'-P-C4' energy: -76.151 flat angles P-C4'-P energy: -55.077 tors. eta vs tors. theta energy: -78.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -718.391074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.391074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.391074 (E_RNA) where: Base-Base interactions energy: -439.049 where: short stacking energy: -216.483 Base-Backbone interact. energy: 1.416 local terms energy: -280.758135 where: bonds (distance) C4'-P energy: -69.629 bonds (distance) P-C4' energy: -76.880 flat angles C4'-P-C4' energy: -62.022 flat angles P-C4'-P energy: -46.506 tors. eta vs tors. theta energy: -25.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -564.561141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.561141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.561141 (E_RNA) where: Base-Base interactions energy: -318.944 where: short stacking energy: -156.146 Base-Backbone interact. energy: -0.222 local terms energy: -245.395789 where: bonds (distance) C4'-P energy: -57.129 bonds (distance) P-C4' energy: -77.348 flat angles C4'-P-C4' energy: -69.229 flat angles P-C4'-P energy: -33.200 tors. eta vs tors. theta energy: -8.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -1566.341453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.341453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.341453 (E_RNA) where: Base-Base interactions energy: -1125.254 where: short stacking energy: -457.844 Base-Backbone interact. energy: -0.625 local terms energy: -440.462256 where: bonds (distance) C4'-P energy: -87.617 bonds (distance) P-C4' energy: -80.412 flat angles C4'-P-C4' energy: -99.877 flat angles P-C4'-P energy: -52.362 tors. eta vs tors. theta energy: -120.194 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: 2, replica: 1 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -1545.718008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.718008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.718008 (E_RNA) where: Base-Base interactions energy: -1085.497 where: short stacking energy: -444.374 Base-Backbone interact. energy: -2.182 local terms energy: -458.039389 where: bonds (distance) C4'-P energy: -89.939 bonds (distance) P-C4' energy: -94.779 flat angles C4'-P-C4' energy: -90.449 flat angles P-C4'-P energy: -65.272 tors. eta vs tors. theta energy: -117.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -1489.204799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.204799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.204799 (E_RNA) where: Base-Base interactions energy: -1047.816 where: short stacking energy: -441.957 Base-Backbone interact. energy: -2.112 local terms energy: -439.277055 where: bonds (distance) C4'-P energy: -81.029 bonds (distance) P-C4' energy: -82.975 flat angles C4'-P-C4' energy: -94.171 flat angles P-C4'-P energy: -48.651 tors. eta vs tors. theta energy: -132.452 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: 4, replica: 2 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -1416.060905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.060905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.060905 (E_RNA) where: Base-Base interactions energy: -1010.382 where: short stacking energy: -451.757 Base-Backbone interact. energy: 0.419 local terms energy: -406.097145 where: bonds (distance) C4'-P energy: -66.542 bonds (distance) P-C4' energy: -77.562 flat angles C4'-P-C4' energy: -85.531 flat angles P-C4'-P energy: -59.904 tors. eta vs tors. theta energy: -116.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -1325.143638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.143638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.143638 (E_RNA) where: Base-Base interactions energy: -917.319 where: short stacking energy: -409.463 Base-Backbone interact. energy: 0.678 local terms energy: -408.503315 where: bonds (distance) C4'-P energy: -76.868 bonds (distance) P-C4' energy: -83.938 flat angles C4'-P-C4' energy: -86.430 flat angles P-C4'-P energy: -48.128 tors. eta vs tors. theta energy: -113.140 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: 6 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -1316.209333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.209333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.209333 (E_RNA) where: Base-Base interactions energy: -911.601 where: short stacking energy: -387.437 Base-Backbone interact. energy: -0.861 local terms energy: -403.747453 where: bonds (distance) C4'-P energy: -72.144 bonds (distance) P-C4' energy: -80.021 flat angles C4'-P-C4' energy: -85.508 flat angles P-C4'-P energy: -63.227 tors. eta vs tors. theta energy: -102.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -1285.150680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.150680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.150680 (E_RNA) where: Base-Base interactions energy: -896.872 where: short stacking energy: -383.081 Base-Backbone interact. energy: -1.134 local terms energy: -387.144144 where: bonds (distance) C4'-P energy: -60.841 bonds (distance) P-C4' energy: -78.251 flat angles C4'-P-C4' energy: -88.812 flat angles P-C4'-P energy: -60.483 tors. eta vs tors. theta energy: -98.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -976.369951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.369951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.369951 (E_RNA) where: Base-Base interactions energy: -656.140 where: short stacking energy: -288.340 Base-Backbone interact. energy: 0.135 local terms energy: -320.364231 where: bonds (distance) C4'-P energy: -70.993 bonds (distance) P-C4' energy: -57.137 flat angles C4'-P-C4' energy: -83.300 flat angles P-C4'-P energy: -48.367 tors. eta vs tors. theta energy: -60.566 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: 5 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -723.983286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.983286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.983286 (E_RNA) where: Base-Base interactions energy: -437.527 where: short stacking energy: -210.564 Base-Backbone interact. energy: 0.001 local terms energy: -286.456958 where: bonds (distance) C4'-P energy: -51.612 bonds (distance) P-C4' energy: -68.712 flat angles C4'-P-C4' energy: -79.933 flat angles P-C4'-P energy: -52.923 tors. eta vs tors. theta energy: -33.278 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: 4 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -563.007489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.007489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.007489 (E_RNA) where: Base-Base interactions energy: -313.063 where: short stacking energy: -170.431 Base-Backbone interact. energy: 3.200 local terms energy: -253.144515 where: bonds (distance) C4'-P energy: -61.198 bonds (distance) P-C4' energy: -72.607 flat angles C4'-P-C4' energy: -76.764 flat angles P-C4'-P energy: -31.628 tors. eta vs tors. theta energy: -10.947 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: 1, replica: 3 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -1573.396755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.396755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.396755 (E_RNA) where: Base-Base interactions energy: -1122.767 where: short stacking energy: -449.599 Base-Backbone interact. energy: -1.701 local terms energy: -448.928621 where: bonds (distance) C4'-P energy: -81.785 bonds (distance) P-C4' energy: -77.601 flat angles C4'-P-C4' energy: -96.784 flat angles P-C4'-P energy: -67.534 tors. eta vs tors. theta energy: -125.225 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: 2, replica: 1 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -1531.313732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.313732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.313732 (E_RNA) where: Base-Base interactions energy: -1076.901 where: short stacking energy: -448.863 Base-Backbone interact. energy: -2.777 local terms energy: -451.636041 where: bonds (distance) C4'-P energy: -83.454 bonds (distance) P-C4' energy: -76.744 flat angles C4'-P-C4' energy: -100.331 flat angles P-C4'-P energy: -64.808 tors. eta vs tors. theta energy: -126.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -1477.338018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.338018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.338018 (E_RNA) where: Base-Base interactions energy: -1040.643 where: short stacking energy: -428.647 Base-Backbone interact. energy: -1.832 local terms energy: -434.862695 where: bonds (distance) C4'-P energy: -73.549 bonds (distance) P-C4' energy: -83.617 flat angles C4'-P-C4' energy: -87.576 flat angles P-C4'-P energy: -59.996 tors. eta vs tors. theta energy: -130.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -1424.488824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.488824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.488824 (E_RNA) where: Base-Base interactions energy: -1013.897 where: short stacking energy: -435.301 Base-Backbone interact. energy: -0.532 local terms energy: -410.059911 where: bonds (distance) C4'-P energy: -74.774 bonds (distance) P-C4' energy: -72.807 flat angles C4'-P-C4' energy: -91.546 flat angles P-C4'-P energy: -53.021 tors. eta vs tors. theta energy: -117.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -1316.340215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.340215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.340215 (E_RNA) where: Base-Base interactions energy: -930.365 where: short stacking energy: -406.799 Base-Backbone interact. energy: -2.235 local terms energy: -383.740093 where: bonds (distance) C4'-P energy: -71.711 bonds (distance) P-C4' energy: -71.673 flat angles C4'-P-C4' energy: -90.882 flat angles P-C4'-P energy: -39.902 tors. eta vs tors. theta energy: -109.572 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: 6 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -1304.497078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.497078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.497078 (E_RNA) where: Base-Base interactions energy: -900.465 where: short stacking energy: -387.296 Base-Backbone interact. energy: -0.464 local terms energy: -403.568137 where: bonds (distance) C4'-P energy: -71.644 bonds (distance) P-C4' energy: -76.367 flat angles C4'-P-C4' energy: -80.878 flat angles P-C4'-P energy: -59.481 tors. eta vs tors. theta energy: -115.199 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: 486 Temperature: 1.200000 Total energy: -1233.390544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.390544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.390544 (E_RNA) where: Base-Base interactions energy: -845.892 where: short stacking energy: -356.558 Base-Backbone interact. energy: 3.724 local terms energy: -391.222965 where: bonds (distance) C4'-P energy: -77.435 bonds (distance) P-C4' energy: -69.279 flat angles C4'-P-C4' energy: -81.322 flat angles P-C4'-P energy: -63.068 tors. eta vs tors. theta energy: -100.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -1095.730703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.730703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.730703 (E_RNA) where: Base-Base interactions energy: -757.168 where: short stacking energy: -325.585 Base-Backbone interact. energy: -1.560 local terms energy: -337.002982 where: bonds (distance) C4'-P energy: -62.950 bonds (distance) P-C4' energy: -58.144 flat angles C4'-P-C4' energy: -83.514 flat angles P-C4'-P energy: -47.957 tors. eta vs tors. theta energy: -84.437 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: 5 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -708.891914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.891914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.891914 (E_RNA) where: Base-Base interactions energy: -427.084 where: short stacking energy: -212.125 Base-Backbone interact. energy: -0.619 local terms energy: -281.188852 where: bonds (distance) C4'-P energy: -62.671 bonds (distance) P-C4' energy: -67.182 flat angles C4'-P-C4' energy: -72.530 flat angles P-C4'-P energy: -36.688 tors. eta vs tors. theta energy: -42.117 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: 4 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -560.432211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.432211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.432211 (E_RNA) where: Base-Base interactions energy: -322.410 where: short stacking energy: -163.895 Base-Backbone interact. energy: -0.180 local terms energy: -237.842576 where: bonds (distance) C4'-P energy: -66.293 bonds (distance) P-C4' energy: -81.067 flat angles C4'-P-C4' energy: -62.432 flat angles P-C4'-P energy: -27.358 tors. eta vs tors. theta energy: -0.693 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: 1, replica: 3 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -1592.029330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.029330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.029330 (E_RNA) where: Base-Base interactions energy: -1132.258 where: short stacking energy: -457.621 Base-Backbone interact. energy: -3.298 local terms energy: -456.472900 where: bonds (distance) C4'-P energy: -84.948 bonds (distance) P-C4' energy: -83.646 flat angles C4'-P-C4' energy: -91.519 flat angles P-C4'-P energy: -68.440 tors. eta vs tors. theta energy: -127.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -1524.494231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.494231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.494231 (E_RNA) where: Base-Base interactions energy: -1056.019 where: short stacking energy: -440.463 Base-Backbone interact. energy: -3.254 local terms energy: -465.221449 where: bonds (distance) C4'-P energy: -83.504 bonds (distance) P-C4' energy: -81.976 flat angles C4'-P-C4' energy: -94.008 flat angles P-C4'-P energy: -71.369 tors. eta vs tors. theta energy: -134.364 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: 1 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -1499.401541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.401541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.401541 (E_RNA) where: Base-Base interactions energy: -1062.239 where: short stacking energy: -453.970 Base-Backbone interact. energy: -3.295 local terms energy: -433.867558 where: bonds (distance) C4'-P energy: -76.756 bonds (distance) P-C4' energy: -84.473 flat angles C4'-P-C4' energy: -85.498 flat angles P-C4'-P energy: -62.984 tors. eta vs tors. theta energy: -124.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -1427.026736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.026736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.026736 (E_RNA) where: Base-Base interactions energy: -1006.291 where: short stacking energy: -439.457 Base-Backbone interact. energy: -2.105 local terms energy: -418.630284 where: bonds (distance) C4'-P energy: -77.865 bonds (distance) P-C4' energy: -83.621 flat angles C4'-P-C4' energy: -78.644 flat angles P-C4'-P energy: -56.792 tors. eta vs tors. theta energy: -121.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -1343.582712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.582712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.582712 (E_RNA) where: Base-Base interactions energy: -922.551 where: short stacking energy: -398.753 Base-Backbone interact. energy: -0.681 local terms energy: -420.350095 where: bonds (distance) C4'-P energy: -69.320 bonds (distance) P-C4' energy: -85.919 flat angles C4'-P-C4' energy: -95.269 flat angles P-C4'-P energy: -62.478 tors. eta vs tors. theta energy: -107.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -1309.517692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.517692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.517692 (E_RNA) where: Base-Base interactions energy: -927.524 where: short stacking energy: -390.671 Base-Backbone interact. energy: -1.748 local terms energy: -380.245857 where: bonds (distance) C4'-P energy: -63.056 bonds (distance) P-C4' energy: -66.568 flat angles C4'-P-C4' energy: -88.048 flat angles P-C4'-P energy: -56.835 tors. eta vs tors. theta energy: -105.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -1262.692150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.692150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.692150 (E_RNA) where: Base-Base interactions energy: -893.794 where: short stacking energy: -360.700 Base-Backbone interact. energy: 3.393 local terms energy: -372.291750 where: bonds (distance) C4'-P energy: -62.843 bonds (distance) P-C4' energy: -80.142 flat angles C4'-P-C4' energy: -86.172 flat angles P-C4'-P energy: -49.513 tors. eta vs tors. theta energy: -93.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -1096.127277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.127277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.127277 (E_RNA) where: Base-Base interactions energy: -736.670 where: short stacking energy: -329.473 Base-Backbone interact. energy: -3.754 local terms energy: -355.703554 where: bonds (distance) C4'-P energy: -61.889 bonds (distance) P-C4' energy: -83.886 flat angles C4'-P-C4' energy: -81.466 flat angles P-C4'-P energy: -45.176 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: 9, replica: 5 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -759.155798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.155798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.155798 (E_RNA) where: Base-Base interactions energy: -470.183 where: short stacking energy: -230.219 Base-Backbone interact. energy: -0.429 local terms energy: -288.543898 where: bonds (distance) C4'-P energy: -67.478 bonds (distance) P-C4' energy: -72.794 flat angles C4'-P-C4' energy: -68.054 flat angles P-C4'-P energy: -43.787 tors. eta vs tors. theta energy: -36.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -489.785247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.785247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.785247 (E_RNA) where: Base-Base interactions energy: -251.876 where: short stacking energy: -135.255 Base-Backbone interact. energy: 2.985 local terms energy: -240.894865 where: bonds (distance) C4'-P energy: -71.717 bonds (distance) P-C4' energy: -84.886 flat angles C4'-P-C4' energy: -57.311 flat angles P-C4'-P energy: -35.594 tors. eta vs tors. theta energy: 8.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -1599.776659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.776659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.776659 (E_RNA) where: Base-Base interactions energy: -1140.060 where: short stacking energy: -458.289 Base-Backbone interact. energy: -1.350 local terms energy: -458.366615 where: bonds (distance) C4'-P energy: -78.139 bonds (distance) P-C4' energy: -92.590 flat angles C4'-P-C4' energy: -94.209 flat angles P-C4'-P energy: -63.718 tors. eta vs tors. theta energy: -129.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -1520.960362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.960362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.960362 (E_RNA) where: Base-Base interactions energy: -1084.429 where: short stacking energy: -459.615 Base-Backbone interact. energy: -1.455 local terms energy: -435.076727 where: bonds (distance) C4'-P energy: -76.767 bonds (distance) P-C4' energy: -76.259 flat angles C4'-P-C4' energy: -84.145 flat angles P-C4'-P energy: -70.138 tors. eta vs tors. theta energy: -127.768 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: 488 Temperature: 1.000000 Total energy: -1464.910502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.910502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.910502 (E_RNA) where: Base-Base interactions energy: -1037.612 where: short stacking energy: -434.964 Base-Backbone interact. energy: 0.913 local terms energy: -428.211337 where: bonds (distance) C4'-P energy: -75.842 bonds (distance) P-C4' energy: -73.338 flat angles C4'-P-C4' energy: -91.955 flat angles P-C4'-P energy: -68.135 tors. eta vs tors. theta energy: -118.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -1444.240597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.240597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.240597 (E_RNA) where: Base-Base interactions energy: -998.056 where: short stacking energy: -435.852 Base-Backbone interact. energy: -0.627 local terms energy: -445.557650 where: bonds (distance) C4'-P energy: -82.120 bonds (distance) P-C4' energy: -87.803 flat angles C4'-P-C4' energy: -94.388 flat angles P-C4'-P energy: -57.487 tors. eta vs tors. theta energy: -123.759 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: 10 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -1352.551733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.551733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.551733 (E_RNA) where: Base-Base interactions energy: -940.146 where: short stacking energy: -396.358 Base-Backbone interact. energy: -0.772 local terms energy: -411.633174 where: bonds (distance) C4'-P energy: -76.865 bonds (distance) P-C4' energy: -76.027 flat angles C4'-P-C4' energy: -91.870 flat angles P-C4'-P energy: -52.827 tors. eta vs tors. theta energy: -114.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -1260.901633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.901633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.901633 (E_RNA) where: Base-Base interactions energy: -894.771 where: short stacking energy: -385.221 Base-Backbone interact. energy: 2.539 local terms energy: -368.669001 where: bonds (distance) C4'-P energy: -71.847 bonds (distance) P-C4' energy: -62.729 flat angles C4'-P-C4' energy: -77.889 flat angles P-C4'-P energy: -59.553 tors. eta vs tors. theta energy: -96.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -1248.600306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.600306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.600306 (E_RNA) where: Base-Base interactions energy: -877.886 where: short stacking energy: -375.715 Base-Backbone interact. energy: 2.814 local terms energy: -373.527929 where: bonds (distance) C4'-P energy: -79.040 bonds (distance) P-C4' energy: -76.450 flat angles C4'-P-C4' energy: -78.816 flat angles P-C4'-P energy: -56.781 tors. eta vs tors. theta energy: -82.440 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: 7 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -1118.366420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.366420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.366420 (E_RNA) where: Base-Base interactions energy: -765.042 where: short stacking energy: -331.741 Base-Backbone interact. energy: -0.757 local terms energy: -352.567520 where: bonds (distance) C4'-P energy: -77.132 bonds (distance) P-C4' energy: -60.841 flat angles C4'-P-C4' energy: -74.616 flat angles P-C4'-P energy: -54.054 tors. eta vs tors. theta energy: -85.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -711.654971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.654971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.654971 (E_RNA) where: Base-Base interactions energy: -420.712 where: short stacking energy: -202.657 Base-Backbone interact. energy: -0.660 local terms energy: -290.282704 where: bonds (distance) C4'-P energy: -78.243 bonds (distance) P-C4' energy: -79.184 flat angles C4'-P-C4' energy: -61.679 flat angles P-C4'-P energy: -28.162 tors. eta vs tors. theta energy: -43.014 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: 4 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -468.393582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.393582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.393582 (E_RNA) where: Base-Base interactions energy: -222.733 where: short stacking energy: -134.053 Base-Backbone interact. energy: -1.744 local terms energy: -243.916816 where: bonds (distance) C4'-P energy: -76.164 bonds (distance) P-C4' energy: -74.068 flat angles C4'-P-C4' energy: -63.749 flat angles P-C4'-P energy: -44.047 tors. eta vs tors. theta energy: 14.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -1580.981877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.981877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.981877 (E_RNA) where: Base-Base interactions energy: -1130.030 where: short stacking energy: -460.947 Base-Backbone interact. energy: -0.548 local terms energy: -450.403722 where: bonds (distance) C4'-P energy: -79.297 bonds (distance) P-C4' energy: -79.673 flat angles C4'-P-C4' energy: -96.457 flat angles P-C4'-P energy: -63.505 tors. eta vs tors. theta energy: -131.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -1509.666084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.666084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.666084 (E_RNA) where: Base-Base interactions energy: -1055.876 where: short stacking energy: -440.398 Base-Backbone interact. energy: -0.112 local terms energy: -453.678207 where: bonds (distance) C4'-P energy: -84.647 bonds (distance) P-C4' energy: -80.686 flat angles C4'-P-C4' energy: -87.748 flat angles P-C4'-P energy: -61.727 tors. eta vs tors. theta energy: -138.870 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: 489 Temperature: 1.000000 Total energy: -1481.306253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.306253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.306253 (E_RNA) where: Base-Base interactions energy: -1041.410 where: short stacking energy: -428.011 Base-Backbone interact. energy: 1.679 local terms energy: -441.575331 where: bonds (distance) C4'-P energy: -78.122 bonds (distance) P-C4' energy: -89.717 flat angles C4'-P-C4' energy: -88.921 flat angles P-C4'-P energy: -59.569 tors. eta vs tors. theta energy: -125.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -1443.375314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.375314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.375314 (E_RNA) where: Base-Base interactions energy: -995.730 where: short stacking energy: -436.140 Base-Backbone interact. energy: -3.028 local terms energy: -444.617279 where: bonds (distance) C4'-P energy: -78.071 bonds (distance) P-C4' energy: -88.301 flat angles C4'-P-C4' energy: -99.156 flat angles P-C4'-P energy: -61.585 tors. eta vs tors. theta energy: -117.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -1384.972115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.972115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.972115 (E_RNA) where: Base-Base interactions energy: -951.533 where: short stacking energy: -414.347 Base-Backbone interact. energy: -1.508 local terms energy: -431.931390 where: bonds (distance) C4'-P energy: -73.627 bonds (distance) P-C4' energy: -77.068 flat angles C4'-P-C4' energy: -99.294 flat angles P-C4'-P energy: -63.637 tors. eta vs tors. theta energy: -118.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -1234.822160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.822160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.822160 (E_RNA) where: Base-Base interactions energy: -861.932 where: short stacking energy: -370.806 Base-Backbone interact. energy: -2.237 local terms energy: -370.653682 where: bonds (distance) C4'-P energy: -62.438 bonds (distance) P-C4' energy: -68.086 flat angles C4'-P-C4' energy: -78.492 flat angles P-C4'-P energy: -59.765 tors. eta vs tors. theta energy: -101.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -1259.365719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.365719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.365719 (E_RNA) where: Base-Base interactions energy: -889.045 where: short stacking energy: -373.637 Base-Backbone interact. energy: -1.809 local terms energy: -368.511693 where: bonds (distance) C4'-P energy: -52.628 bonds (distance) P-C4' energy: -85.862 flat angles C4'-P-C4' energy: -87.292 flat angles P-C4'-P energy: -50.215 tors. eta vs tors. theta energy: -92.515 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: 7 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -1116.592091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.592091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.592091 (E_RNA) where: Base-Base interactions energy: -761.145 where: short stacking energy: -308.328 Base-Backbone interact. energy: -4.287 local terms energy: -351.159822 where: bonds (distance) C4'-P energy: -58.224 bonds (distance) P-C4' energy: -81.015 flat angles C4'-P-C4' energy: -74.951 flat angles P-C4'-P energy: -51.377 tors. eta vs tors. theta energy: -85.593 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: 9, replica: 5 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -697.291818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.291818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.291818 (E_RNA) where: Base-Base interactions energy: -423.360 where: short stacking energy: -207.174 Base-Backbone interact. energy: -3.002 local terms energy: -270.929711 where: bonds (distance) C4'-P energy: -72.741 bonds (distance) P-C4' energy: -64.952 flat angles C4'-P-C4' energy: -70.354 flat angles P-C4'-P energy: -45.154 tors. eta vs tors. theta energy: -17.728 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: 4 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -476.300163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.300163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.300163 (E_RNA) where: Base-Base interactions energy: -256.007 where: short stacking energy: -148.707 Base-Backbone interact. energy: 2.229 local terms energy: -222.521515 where: bonds (distance) C4'-P energy: -61.647 bonds (distance) P-C4' energy: -52.452 flat angles C4'-P-C4' energy: -72.262 flat angles P-C4'-P energy: -35.557 tors. eta vs tors. theta energy: -0.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -1583.275984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.275984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.275984 (E_RNA) where: Base-Base interactions energy: -1127.381 where: short stacking energy: -462.303 Base-Backbone interact. energy: -1.409 local terms energy: -454.486783 where: bonds (distance) C4'-P energy: -85.547 bonds (distance) P-C4' energy: -82.669 flat angles C4'-P-C4' energy: -95.686 flat angles P-C4'-P energy: -65.782 tors. eta vs tors. theta energy: -124.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -1498.142472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.142472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.142472 (E_RNA) where: Base-Base interactions energy: -1050.048 where: short stacking energy: -442.617 Base-Backbone interact. energy: -1.688 local terms energy: -446.406466 where: bonds (distance) C4'-P energy: -74.959 bonds (distance) P-C4' energy: -85.195 flat angles C4'-P-C4' energy: -92.347 flat angles P-C4'-P energy: -69.487 tors. eta vs tors. theta energy: -124.418 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: 3, replica: 1 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -1509.662579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.662579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.662579 (E_RNA) where: Base-Base interactions energy: -1065.829 where: short stacking energy: -426.968 Base-Backbone interact. energy: 1.936 local terms energy: -445.768913 where: bonds (distance) C4'-P energy: -77.326 bonds (distance) P-C4' energy: -73.779 flat angles C4'-P-C4' energy: -102.844 flat angles P-C4'-P energy: -69.118 tors. eta vs tors. theta energy: -122.701 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: 2 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -1414.805462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.805462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.805462 (E_RNA) where: Base-Base interactions energy: -996.358 where: short stacking energy: -427.549 Base-Backbone interact. energy: -1.810 local terms energy: -416.637277 where: bonds (distance) C4'-P energy: -73.580 bonds (distance) P-C4' energy: -74.672 flat angles C4'-P-C4' energy: -94.678 flat angles P-C4'-P energy: -55.831 tors. eta vs tors. theta energy: -117.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -1377.843697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.843697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.843697 (E_RNA) where: Base-Base interactions energy: -963.628 where: short stacking energy: -398.762 Base-Backbone interact. energy: 1.089 local terms energy: -415.304206 where: bonds (distance) C4'-P energy: -72.610 bonds (distance) P-C4' energy: -73.614 flat angles C4'-P-C4' energy: -87.698 flat angles P-C4'-P energy: -61.081 tors. eta vs tors. theta energy: -120.302 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: 6 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -1282.424724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.424724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.424724 (E_RNA) where: Base-Base interactions energy: -892.315 where: short stacking energy: -386.720 Base-Backbone interact. energy: -0.561 local terms energy: -389.548371 where: bonds (distance) C4'-P energy: -82.136 bonds (distance) P-C4' energy: -70.047 flat angles C4'-P-C4' energy: -84.643 flat angles P-C4'-P energy: -52.192 tors. eta vs tors. theta energy: -100.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -1239.988366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.988366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.988366 (E_RNA) where: Base-Base interactions energy: -892.976 where: short stacking energy: -371.614 Base-Backbone interact. energy: -1.592 local terms energy: -345.421143 where: bonds (distance) C4'-P energy: -68.376 bonds (distance) P-C4' energy: -30.402 flat angles C4'-P-C4' energy: -87.582 flat angles P-C4'-P energy: -62.752 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: 8, replica: 7 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -1085.111412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.111412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.111412 (E_RNA) where: Base-Base interactions energy: -761.676 where: short stacking energy: -316.936 Base-Backbone interact. energy: 0.706 local terms energy: -324.140975 where: bonds (distance) C4'-P energy: -65.713 bonds (distance) P-C4' energy: -60.852 flat angles C4'-P-C4' energy: -68.346 flat angles P-C4'-P energy: -50.174 tors. eta vs tors. theta energy: -79.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -710.594398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.594398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.594398 (E_RNA) where: Base-Base interactions energy: -434.405 where: short stacking energy: -217.688 Base-Backbone interact. energy: -0.427 local terms energy: -275.762471 where: bonds (distance) C4'-P energy: -67.934 bonds (distance) P-C4' energy: -79.853 flat angles C4'-P-C4' energy: -63.332 flat angles P-C4'-P energy: -25.722 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: 10, replica: 4 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -524.492353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.492353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.492353 (E_RNA) where: Base-Base interactions energy: -273.879 where: short stacking energy: -154.764 Base-Backbone interact. energy: -0.662 local terms energy: -249.951476 where: bonds (distance) C4'-P energy: -58.870 bonds (distance) P-C4' energy: -69.783 flat angles C4'-P-C4' energy: -73.312 flat angles P-C4'-P energy: -32.926 tors. eta vs tors. theta energy: -15.060 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: 1, replica: 3 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -1593.352136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.352136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.352136 (E_RNA) where: Base-Base interactions energy: -1148.818 where: short stacking energy: -455.378 Base-Backbone interact. energy: -2.415 local terms energy: -442.119474 where: bonds (distance) C4'-P energy: -76.964 bonds (distance) P-C4' energy: -84.168 flat angles C4'-P-C4' energy: -99.147 flat angles P-C4'-P energy: -56.709 tors. eta vs tors. theta energy: -125.131 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: 2, replica: 1 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -1520.874700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.874700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.874700 (E_RNA) where: Base-Base interactions energy: -1076.788 where: short stacking energy: -445.984 Base-Backbone interact. energy: -1.968 local terms energy: -442.118581 where: bonds (distance) C4'-P energy: -85.211 bonds (distance) P-C4' energy: -82.308 flat angles C4'-P-C4' energy: -97.329 flat angles P-C4'-P energy: -57.656 tors. eta vs tors. theta energy: -119.615 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: 491 Temperature: 1.000000 Total energy: -1483.277418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.277418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.277418 (E_RNA) where: Base-Base interactions energy: -1046.206 where: short stacking energy: -437.764 Base-Backbone interact. energy: -1.285 local terms energy: -435.786145 where: bonds (distance) C4'-P energy: -82.176 bonds (distance) P-C4' energy: -79.558 flat angles C4'-P-C4' energy: -83.574 flat angles P-C4'-P energy: -64.698 tors. eta vs tors. theta energy: -125.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -1410.257311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.257311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.257311 (E_RNA) where: Base-Base interactions energy: -989.355 where: short stacking energy: -436.182 Base-Backbone interact. energy: -2.588 local terms energy: -418.314203 where: bonds (distance) C4'-P energy: -69.074 bonds (distance) P-C4' energy: -76.861 flat angles C4'-P-C4' energy: -90.698 flat angles P-C4'-P energy: -54.687 tors. eta vs tors. theta energy: -126.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -1376.731169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.731169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.731169 (E_RNA) where: Base-Base interactions energy: -947.325 where: short stacking energy: -427.285 Base-Backbone interact. energy: -1.460 local terms energy: -427.946538 where: bonds (distance) C4'-P energy: -86.747 bonds (distance) P-C4' energy: -64.435 flat angles C4'-P-C4' energy: -92.623 flat angles P-C4'-P energy: -59.186 tors. eta vs tors. theta energy: -124.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -1304.727296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.727296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.727296 (E_RNA) where: Base-Base interactions energy: -919.644 where: short stacking energy: -400.624 Base-Backbone interact. energy: -0.046 local terms energy: -385.036835 where: bonds (distance) C4'-P energy: -66.875 bonds (distance) P-C4' energy: -74.034 flat angles C4'-P-C4' energy: -78.817 flat angles P-C4'-P energy: -63.026 tors. eta vs tors. theta energy: -102.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -1229.389316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.389316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.389316 (E_RNA) where: Base-Base interactions energy: -855.372 where: short stacking energy: -373.085 Base-Backbone interact. energy: -0.317 local terms energy: -373.700344 where: bonds (distance) C4'-P energy: -68.522 bonds (distance) P-C4' energy: -77.859 flat angles C4'-P-C4' energy: -79.043 flat angles P-C4'-P energy: -59.371 tors. eta vs tors. theta energy: -88.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -1032.674013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.674013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.674013 (E_RNA) where: Base-Base interactions energy: -714.629 where: short stacking energy: -286.635 Base-Backbone interact. energy: -2.117 local terms energy: -315.927987 where: bonds (distance) C4'-P energy: -61.989 bonds (distance) P-C4' energy: -65.195 flat angles C4'-P-C4' energy: -70.425 flat angles P-C4'-P energy: -49.937 tors. eta vs tors. theta energy: -68.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -775.288247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.288247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.288247 (E_RNA) where: Base-Base interactions energy: -484.242 where: short stacking energy: -199.732 Base-Backbone interact. energy: -2.870 local terms energy: -288.175984 where: bonds (distance) C4'-P energy: -64.844 bonds (distance) P-C4' energy: -73.254 flat angles C4'-P-C4' energy: -72.437 flat angles P-C4'-P energy: -48.547 tors. eta vs tors. theta energy: -29.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -550.593678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.593678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.593678 (E_RNA) where: Base-Base interactions energy: -301.815 where: short stacking energy: -171.792 Base-Backbone interact. energy: 4.815 local terms energy: -253.593368 where: bonds (distance) C4'-P energy: -70.371 bonds (distance) P-C4' energy: -76.409 flat angles C4'-P-C4' energy: -58.029 flat angles P-C4'-P energy: -25.239 tors. eta vs tors. theta energy: -23.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -1574.776988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.776988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.776988 (E_RNA) where: Base-Base interactions energy: -1122.523 where: short stacking energy: -462.182 Base-Backbone interact. energy: 0.388 local terms energy: -452.641627 where: bonds (distance) C4'-P energy: -84.055 bonds (distance) P-C4' energy: -87.661 flat angles C4'-P-C4' energy: -91.942 flat angles P-C4'-P energy: -68.474 tors. eta vs tors. theta energy: -120.510 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: 492 Temperature: 0.950000 Total energy: -1528.531700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.531700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.531700 (E_RNA) where: Base-Base interactions energy: -1071.936 where: short stacking energy: -434.545 Base-Backbone interact. energy: 0.193 local terms energy: -456.788880 where: bonds (distance) C4'-P energy: -92.980 bonds (distance) P-C4' energy: -86.984 flat angles C4'-P-C4' energy: -94.521 flat angles P-C4'-P energy: -67.579 tors. eta vs tors. theta energy: -114.724 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: 8 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -1478.086852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.086852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.086852 (E_RNA) where: Base-Base interactions energy: -1029.978 where: short stacking energy: -431.893 Base-Backbone interact. energy: -1.208 local terms energy: -446.901725 where: bonds (distance) C4'-P energy: -74.420 bonds (distance) P-C4' energy: -81.306 flat angles C4'-P-C4' energy: -93.703 flat angles P-C4'-P energy: -67.632 tors. eta vs tors. theta energy: -129.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -1421.789574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.789574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.789574 (E_RNA) where: Base-Base interactions energy: -969.851 where: short stacking energy: -419.340 Base-Backbone interact. energy: -3.248 local terms energy: -448.690767 where: bonds (distance) C4'-P energy: -81.112 bonds (distance) P-C4' energy: -74.758 flat angles C4'-P-C4' energy: -88.917 flat angles P-C4'-P energy: -72.881 tors. eta vs tors. theta energy: -131.024 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: 9 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -1329.630092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.630092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.630092 (E_RNA) where: Base-Base interactions energy: -942.930 where: short stacking energy: -406.168 Base-Backbone interact. energy: -2.462 local terms energy: -384.237455 where: bonds (distance) C4'-P energy: -50.367 bonds (distance) P-C4' energy: -77.053 flat angles C4'-P-C4' energy: -88.668 flat angles P-C4'-P energy: -51.602 tors. eta vs tors. theta energy: -116.547 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: 6, replica: 10 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -1341.309173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.309173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.309173 (E_RNA) where: Base-Base interactions energy: -917.569 where: short stacking energy: -405.932 Base-Backbone interact. energy: -0.822 local terms energy: -422.918035 where: bonds (distance) C4'-P energy: -77.044 bonds (distance) P-C4' energy: -78.962 flat angles C4'-P-C4' energy: -90.437 flat angles P-C4'-P energy: -58.903 tors. eta vs tors. theta energy: -117.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -1283.168327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.168327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.168327 (E_RNA) where: Base-Base interactions energy: -912.639 where: short stacking energy: -375.185 Base-Backbone interact. energy: 0.990 local terms energy: -371.519742 where: bonds (distance) C4'-P energy: -67.684 bonds (distance) P-C4' energy: -75.986 flat angles C4'-P-C4' energy: -81.957 flat angles P-C4'-P energy: -46.713 tors. eta vs tors. theta energy: -99.180 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: 8, replica: 7 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -1090.201230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.201230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.201230 (E_RNA) where: Base-Base interactions energy: -740.318 where: short stacking energy: -314.295 Base-Backbone interact. energy: -0.076 local terms energy: -349.807489 where: bonds (distance) C4'-P energy: -73.042 bonds (distance) P-C4' energy: -72.020 flat angles C4'-P-C4' energy: -69.071 flat angles P-C4'-P energy: -50.922 tors. eta vs tors. theta energy: -84.752 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: 5 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -780.731332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.731332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.731332 (E_RNA) where: Base-Base interactions energy: -492.024 where: short stacking energy: -218.536 Base-Backbone interact. energy: 2.879 local terms energy: -291.586221 where: bonds (distance) C4'-P energy: -76.834 bonds (distance) P-C4' energy: -64.555 flat angles C4'-P-C4' energy: -63.990 flat angles P-C4'-P energy: -51.581 tors. eta vs tors. theta energy: -34.626 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: 4 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -532.416089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.416089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.416089 (E_RNA) where: Base-Base interactions energy: -271.403 where: short stacking energy: -153.978 Base-Backbone interact. energy: 1.395 local terms energy: -262.408422 where: bonds (distance) C4'-P energy: -65.946 bonds (distance) P-C4' energy: -88.158 flat angles C4'-P-C4' energy: -64.753 flat angles P-C4'-P energy: -33.601 tors. eta vs tors. theta energy: -9.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -1589.002738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.002738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.002738 (E_RNA) where: Base-Base interactions energy: -1133.437 where: short stacking energy: -469.250 Base-Backbone interact. energy: -4.818 local terms energy: -450.747595 where: bonds (distance) C4'-P energy: -76.601 bonds (distance) P-C4' energy: -79.099 flat angles C4'-P-C4' energy: -100.749 flat angles P-C4'-P energy: -65.962 tors. eta vs tors. theta energy: -128.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -1499.465463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.465463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.465463 (E_RNA) where: Base-Base interactions energy: -1052.344 where: short stacking energy: -442.712 Base-Backbone interact. energy: -0.290 local terms energy: -446.830914 where: bonds (distance) C4'-P energy: -88.963 bonds (distance) P-C4' energy: -88.224 flat angles C4'-P-C4' energy: -84.649 flat angles P-C4'-P energy: -65.585 tors. eta vs tors. theta energy: -119.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -1471.364282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.364282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.364282 (E_RNA) where: Base-Base interactions energy: -1029.547 where: short stacking energy: -439.210 Base-Backbone interact. energy: -3.000 local terms energy: -438.817443 where: bonds (distance) C4'-P energy: -72.894 bonds (distance) P-C4' energy: -83.084 flat angles C4'-P-C4' energy: -92.033 flat angles P-C4'-P energy: -65.569 tors. eta vs tors. theta energy: -125.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -1386.139498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.139498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.139498 (E_RNA) where: Base-Base interactions energy: -964.725 where: short stacking energy: -404.219 Base-Backbone interact. energy: 1.234 local terms energy: -422.648465 where: bonds (distance) C4'-P energy: -79.769 bonds (distance) P-C4' energy: -79.984 flat angles C4'-P-C4' energy: -85.204 flat angles P-C4'-P energy: -63.519 tors. eta vs tors. theta energy: -114.172 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: 2 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -1367.889218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.889218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.889218 (E_RNA) where: Base-Base interactions energy: -938.462 where: short stacking energy: -387.340 Base-Backbone interact. energy: -0.405 local terms energy: -429.021827 where: bonds (distance) C4'-P energy: -84.453 bonds (distance) P-C4' energy: -89.038 flat angles C4'-P-C4' energy: -95.079 flat angles P-C4'-P energy: -54.551 tors. eta vs tors. theta energy: -105.901 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: 6 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -1278.592504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.592504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.592504 (E_RNA) where: Base-Base interactions energy: -906.267 where: short stacking energy: -347.706 Base-Backbone interact. energy: -1.959 local terms energy: -370.366448 where: bonds (distance) C4'-P energy: -71.252 bonds (distance) P-C4' energy: -71.939 flat angles C4'-P-C4' energy: -82.073 flat angles P-C4'-P energy: -58.618 tors. eta vs tors. theta energy: -86.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -1278.057706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.057706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.057706 (E_RNA) where: Base-Base interactions energy: -877.030 where: short stacking energy: -371.251 Base-Backbone interact. energy: -0.906 local terms energy: -400.121709 where: bonds (distance) C4'-P energy: -69.503 bonds (distance) P-C4' energy: -71.541 flat angles C4'-P-C4' energy: -96.259 flat angles P-C4'-P energy: -59.335 tors. eta vs tors. theta energy: -103.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -1110.446146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.446146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.446146 (E_RNA) where: Base-Base interactions energy: -748.253 where: short stacking energy: -312.161 Base-Backbone interact. energy: -0.899 local terms energy: -361.294555 where: bonds (distance) C4'-P energy: -65.306 bonds (distance) P-C4' energy: -93.898 flat angles C4'-P-C4' energy: -74.415 flat angles P-C4'-P energy: -50.210 tors. eta vs tors. theta energy: -77.466 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: 5 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -791.707448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.707448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.707448 (E_RNA) where: Base-Base interactions energy: -490.204 where: short stacking energy: -223.057 Base-Backbone interact. energy: -3.464 local terms energy: -298.039327 where: bonds (distance) C4'-P energy: -57.750 bonds (distance) P-C4' energy: -81.549 flat angles C4'-P-C4' energy: -67.242 flat angles P-C4'-P energy: -44.405 tors. eta vs tors. theta energy: -47.093 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: 10, replica: 4 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -533.754405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.754405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.754405 (E_RNA) where: Base-Base interactions energy: -311.038 where: short stacking energy: -148.467 Base-Backbone interact. energy: -1.129 local terms energy: -221.586923 where: bonds (distance) C4'-P energy: -61.796 bonds (distance) P-C4' energy: -64.398 flat angles C4'-P-C4' energy: -52.923 flat angles P-C4'-P energy: -42.121 tors. eta vs tors. theta energy: -0.349 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: 1 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -1548.965634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.965634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.965634 (E_RNA) where: Base-Base interactions energy: -1079.957 where: short stacking energy: -467.493 Base-Backbone interact. energy: 0.833 local terms energy: -469.841961 where: bonds (distance) C4'-P energy: -75.922 bonds (distance) P-C4' energy: -90.808 flat angles C4'-P-C4' energy: -98.652 flat angles P-C4'-P energy: -69.128 tors. eta vs tors. theta energy: -135.331 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: 3 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -1552.043684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.043684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.043684 (E_RNA) where: Base-Base interactions energy: -1094.689 where: short stacking energy: -445.901 Base-Backbone interact. energy: -1.729 local terms energy: -455.626040 where: bonds (distance) C4'-P energy: -92.249 bonds (distance) P-C4' energy: -84.970 flat angles C4'-P-C4' energy: -98.543 flat angles P-C4'-P energy: -62.898 tors. eta vs tors. theta energy: -116.966 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: 3, replica: 8 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -1480.928816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.928816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.928816 (E_RNA) where: Base-Base interactions energy: -1049.626 where: short stacking energy: -446.711 Base-Backbone interact. energy: 1.542 local terms energy: -432.844502 where: bonds (distance) C4'-P energy: -80.139 bonds (distance) P-C4' energy: -77.939 flat angles C4'-P-C4' energy: -89.556 flat angles P-C4'-P energy: -56.150 tors. eta vs tors. theta energy: -129.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -1408.726048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.726048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.726048 (E_RNA) where: Base-Base interactions energy: -974.411 where: short stacking energy: -418.304 Base-Backbone interact. energy: -1.301 local terms energy: -433.013471 where: bonds (distance) C4'-P energy: -84.032 bonds (distance) P-C4' energy: -71.611 flat angles C4'-P-C4' energy: -93.166 flat angles P-C4'-P energy: -63.780 tors. eta vs tors. theta energy: -120.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -1391.267200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.267200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.267200 (E_RNA) where: Base-Base interactions energy: -972.551 where: short stacking energy: -431.475 Base-Backbone interact. energy: -1.336 local terms energy: -417.379934 where: bonds (distance) C4'-P energy: -69.104 bonds (distance) P-C4' energy: -73.138 flat angles C4'-P-C4' energy: -92.377 flat angles P-C4'-P energy: -54.886 tors. eta vs tors. theta energy: -127.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -1278.131241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.131241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.131241 (E_RNA) where: Base-Base interactions energy: -887.406 where: short stacking energy: -370.624 Base-Backbone interact. energy: -1.597 local terms energy: -389.128733 where: bonds (distance) C4'-P energy: -73.175 bonds (distance) P-C4' energy: -83.162 flat angles C4'-P-C4' energy: -86.769 flat angles P-C4'-P energy: -52.430 tors. eta vs tors. theta energy: -93.593 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: 10 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -1282.672635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.672635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.672635 (E_RNA) where: Base-Base interactions energy: -899.960 where: short stacking energy: -388.070 Base-Backbone interact. energy: -1.173 local terms energy: -381.539024 where: bonds (distance) C4'-P energy: -52.896 bonds (distance) P-C4' energy: -74.322 flat angles C4'-P-C4' energy: -79.884 flat angles P-C4'-P energy: -62.633 tors. eta vs tors. theta energy: -111.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -1068.378973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.378973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.378973 (E_RNA) where: Base-Base interactions energy: -735.645 where: short stacking energy: -323.918 Base-Backbone interact. energy: -0.333 local terms energy: -332.400797 where: bonds (distance) C4'-P energy: -67.901 bonds (distance) P-C4' energy: -64.062 flat angles C4'-P-C4' energy: -70.877 flat angles P-C4'-P energy: -46.211 tors. eta vs tors. theta energy: -83.350 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: 5 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -809.497713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.497713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.497713 (E_RNA) where: Base-Base interactions energy: -497.848 where: short stacking energy: -231.678 Base-Backbone interact. energy: -2.562 local terms energy: -309.087345 where: bonds (distance) C4'-P energy: -60.581 bonds (distance) P-C4' energy: -61.751 flat angles C4'-P-C4' energy: -84.141 flat angles P-C4'-P energy: -52.680 tors. eta vs tors. theta energy: -49.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -550.272916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.272916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.272916 (E_RNA) where: Base-Base interactions energy: -296.807 where: short stacking energy: -166.585 Base-Backbone interact. energy: 1.052 local terms energy: -254.517829 where: bonds (distance) C4'-P energy: -73.644 bonds (distance) P-C4' energy: -76.314 flat angles C4'-P-C4' energy: -59.790 flat angles P-C4'-P energy: -38.445 tors. eta vs tors. theta energy: -6.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -1554.561342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.561342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.561342 (E_RNA) where: Base-Base interactions energy: -1090.719 where: short stacking energy: -452.052 Base-Backbone interact. energy: -5.591 local terms energy: -458.250848 where: bonds (distance) C4'-P energy: -79.059 bonds (distance) P-C4' energy: -85.651 flat angles C4'-P-C4' energy: -93.390 flat angles P-C4'-P energy: -72.585 tors. eta vs tors. theta energy: -127.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -1548.752201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.752201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.752201 (E_RNA) where: Base-Base interactions energy: -1097.443 where: short stacking energy: -453.853 Base-Backbone interact. energy: -1.559 local terms energy: -449.750388 where: bonds (distance) C4'-P energy: -82.185 bonds (distance) P-C4' energy: -80.193 flat angles C4'-P-C4' energy: -97.106 flat angles P-C4'-P energy: -67.897 tors. eta vs tors. theta energy: -122.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -1498.252464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.252464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.252464 (E_RNA) where: Base-Base interactions energy: -1062.790 where: short stacking energy: -453.352 Base-Backbone interact. energy: -1.169 local terms energy: -434.293902 where: bonds (distance) C4'-P energy: -87.319 bonds (distance) P-C4' energy: -83.350 flat angles C4'-P-C4' energy: -89.168 flat angles P-C4'-P energy: -45.642 tors. eta vs tors. theta energy: -128.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -1395.423671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.423671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.423671 (E_RNA) where: Base-Base interactions energy: -976.999 where: short stacking energy: -404.655 Base-Backbone interact. energy: -1.202 local terms energy: -417.222509 where: bonds (distance) C4'-P energy: -77.891 bonds (distance) P-C4' energy: -76.183 flat angles C4'-P-C4' energy: -90.543 flat angles P-C4'-P energy: -69.473 tors. eta vs tors. theta energy: -103.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -1380.462925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.462925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.462925 (E_RNA) where: Base-Base interactions energy: -968.838 where: short stacking energy: -411.682 Base-Backbone interact. energy: 0.936 local terms energy: -412.560336 where: bonds (distance) C4'-P energy: -77.245 bonds (distance) P-C4' energy: -80.116 flat angles C4'-P-C4' energy: -78.432 flat angles P-C4'-P energy: -60.652 tors. eta vs tors. theta energy: -116.115 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: 10 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -1286.144547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.144547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.144547 (E_RNA) where: Base-Base interactions energy: -877.062 where: short stacking energy: -385.284 Base-Backbone interact. energy: 0.541 local terms energy: -409.623981 where: bonds (distance) C4'-P energy: -66.563 bonds (distance) P-C4' energy: -74.612 flat angles C4'-P-C4' energy: -91.148 flat angles P-C4'-P energy: -65.071 tors. eta vs tors. theta energy: -112.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -1265.102012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.102012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.102012 (E_RNA) where: Base-Base interactions energy: -894.593 where: short stacking energy: -370.125 Base-Backbone interact. energy: 1.643 local terms energy: -372.152258 where: bonds (distance) C4'-P energy: -81.975 bonds (distance) P-C4' energy: -79.703 flat angles C4'-P-C4' energy: -75.984 flat angles P-C4'-P energy: -48.642 tors. eta vs tors. theta energy: -85.849 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: 8, replica: 7 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -1102.708842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.708842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.708842 (E_RNA) where: Base-Base interactions energy: -752.367 where: short stacking energy: -345.962 Base-Backbone interact. energy: -1.494 local terms energy: -348.847827 where: bonds (distance) C4'-P energy: -73.982 bonds (distance) P-C4' energy: -59.618 flat angles C4'-P-C4' energy: -81.575 flat angles P-C4'-P energy: -47.726 tors. eta vs tors. theta energy: -85.948 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: 5 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -790.722590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.722590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.722590 (E_RNA) where: Base-Base interactions energy: -477.338 where: short stacking energy: -220.952 Base-Backbone interact. energy: 2.031 local terms energy: -315.415019 where: bonds (distance) C4'-P energy: -89.912 bonds (distance) P-C4' energy: -67.412 flat angles C4'-P-C4' energy: -84.813 flat angles P-C4'-P energy: -48.704 tors. eta vs tors. theta energy: -24.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -535.355316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.355316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.355316 (E_RNA) where: Base-Base interactions energy: -289.810 where: short stacking energy: -162.444 Base-Backbone interact. energy: -1.604 local terms energy: -243.942148 where: bonds (distance) C4'-P energy: -62.586 bonds (distance) P-C4' energy: -80.003 flat angles C4'-P-C4' energy: -68.284 flat angles P-C4'-P energy: -27.753 tors. eta vs tors. theta energy: -5.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -1588.929751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.929751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.929751 (E_RNA) where: Base-Base interactions energy: -1134.236 where: short stacking energy: -443.370 Base-Backbone interact. energy: -2.559 local terms energy: -452.134739 where: bonds (distance) C4'-P energy: -92.023 bonds (distance) P-C4' energy: -85.203 flat angles C4'-P-C4' energy: -91.220 flat angles P-C4'-P energy: -54.441 tors. eta vs tors. theta energy: -129.249 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: 1 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -1492.758032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.758032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.758032 (E_RNA) where: Base-Base interactions energy: -1046.067 where: short stacking energy: -424.724 Base-Backbone interact. energy: -1.006 local terms energy: -445.684665 where: bonds (distance) C4'-P energy: -80.032 bonds (distance) P-C4' energy: -83.583 flat angles C4'-P-C4' energy: -89.607 flat angles P-C4'-P energy: -72.648 tors. eta vs tors. theta energy: -119.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -1484.658255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.658255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.658255 (E_RNA) where: Base-Base interactions energy: -1061.267 where: short stacking energy: -452.331 Base-Backbone interact. energy: -1.793 local terms energy: -421.598754 where: bonds (distance) C4'-P energy: -71.777 bonds (distance) P-C4' energy: -84.804 flat angles C4'-P-C4' energy: -86.580 flat angles P-C4'-P energy: -50.283 tors. eta vs tors. theta energy: -128.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -1409.856607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.856607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.856607 (E_RNA) where: Base-Base interactions energy: -984.878 where: short stacking energy: -425.211 Base-Backbone interact. energy: -1.568 local terms energy: -423.410340 where: bonds (distance) C4'-P energy: -81.149 bonds (distance) P-C4' energy: -81.647 flat angles C4'-P-C4' energy: -82.608 flat angles P-C4'-P energy: -58.372 tors. eta vs tors. theta energy: -119.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -1378.997457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.997457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.997457 (E_RNA) where: Base-Base interactions energy: -989.006 where: short stacking energy: -424.717 Base-Backbone interact. energy: -1.045 local terms energy: -388.946569 where: bonds (distance) C4'-P energy: -69.858 bonds (distance) P-C4' energy: -72.636 flat angles C4'-P-C4' energy: -86.879 flat angles P-C4'-P energy: -44.111 tors. eta vs tors. theta energy: -115.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -1323.631957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.631957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.631957 (E_RNA) where: Base-Base interactions energy: -916.051 where: short stacking energy: -400.575 Base-Backbone interact. energy: -0.556 local terms energy: -407.025041 where: bonds (distance) C4'-P energy: -63.713 bonds (distance) P-C4' energy: -77.094 flat angles C4'-P-C4' energy: -91.113 flat angles P-C4'-P energy: -58.715 tors. eta vs tors. theta energy: -116.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -1222.390891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.390891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.390891 (E_RNA) where: Base-Base interactions energy: -860.935 where: short stacking energy: -350.997 Base-Backbone interact. energy: -2.631 local terms energy: -358.825268 where: bonds (distance) C4'-P energy: -84.905 bonds (distance) P-C4' energy: -59.726 flat angles C4'-P-C4' energy: -80.207 flat angles P-C4'-P energy: -47.268 tors. eta vs tors. theta energy: -86.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -1078.725011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.725011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.725011 (E_RNA) where: Base-Base interactions energy: -749.602 where: short stacking energy: -329.748 Base-Backbone interact. energy: -0.849 local terms energy: -328.273751 where: bonds (distance) C4'-P energy: -57.851 bonds (distance) P-C4' energy: -62.406 flat angles C4'-P-C4' energy: -78.671 flat angles P-C4'-P energy: -44.400 tors. eta vs tors. theta energy: -84.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -766.543984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.543984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.543984 (E_RNA) where: Base-Base interactions energy: -469.126 where: short stacking energy: -229.565 Base-Backbone interact. energy: -0.459 local terms energy: -296.958724 where: bonds (distance) C4'-P energy: -75.225 bonds (distance) P-C4' energy: -65.733 flat angles C4'-P-C4' energy: -74.170 flat angles P-C4'-P energy: -41.439 tors. eta vs tors. theta energy: -40.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -503.789711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.789711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.789711 (E_RNA) where: Base-Base interactions energy: -291.236 where: short stacking energy: -168.518 Base-Backbone interact. energy: 0.746 local terms energy: -213.298951 where: bonds (distance) C4'-P energy: -52.272 bonds (distance) P-C4' energy: -73.205 flat angles C4'-P-C4' energy: -63.918 flat angles P-C4'-P energy: -18.990 tors. eta vs tors. theta energy: -4.914 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) out arg RESULTS//1/R1203-6482ae19_01 DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 3 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -1585.003071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.003071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.003071 (E_RNA) where: Base-Base interactions energy: -1130.535 where: short stacking energy: -447.324 Base-Backbone interact. energy: -1.635 local terms energy: -452.833130 where: bonds (distance) C4'-P energy: -80.661 bonds (distance) P-C4' energy: -81.003 flat angles C4'-P-C4' energy: -95.279 flat angles P-C4'-P energy: -68.739 tors. eta vs tors. theta energy: -127.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -1517.399759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.399759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.399759 (E_RNA) where: Base-Base interactions energy: -1052.870 where: short stacking energy: -454.571 Base-Backbone interact. energy: -0.736 local terms energy: -463.794520 where: bonds (distance) C4'-P energy: -95.712 bonds (distance) P-C4' energy: -78.460 flat angles C4'-P-C4' energy: -92.358 flat angles P-C4'-P energy: -61.853 tors. eta vs tors. theta energy: -135.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -1485.454234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.454234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.454234 (E_RNA) where: Base-Base interactions energy: -1038.935 where: short stacking energy: -449.412 Base-Backbone interact. energy: -3.676 local terms energy: -442.843247 where: bonds (distance) C4'-P energy: -80.633 bonds (distance) P-C4' energy: -79.961 flat angles C4'-P-C4' energy: -97.736 flat angles P-C4'-P energy: -59.047 tors. eta vs tors. theta energy: -125.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -1417.375029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.375029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.375029 (E_RNA) where: Base-Base interactions energy: -1009.804 where: short stacking energy: -428.620 Base-Backbone interact. energy: -1.639 local terms energy: -405.932102 where: bonds (distance) C4'-P energy: -64.967 bonds (distance) P-C4' energy: -69.677 flat angles C4'-P-C4' energy: -86.629 flat angles P-C4'-P energy: -60.533 tors. eta vs tors. theta energy: -124.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -1376.614851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.614851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.614851 (E_RNA) where: Base-Base interactions energy: -948.967 where: short stacking energy: -420.858 Base-Backbone interact. energy: 1.499 local terms energy: -429.146475 where: bonds (distance) C4'-P energy: -83.957 bonds (distance) P-C4' energy: -80.048 flat angles C4'-P-C4' energy: -89.689 flat angles P-C4'-P energy: -59.767 tors. eta vs tors. theta energy: -115.686 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: 10 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -1288.104887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.104887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.104887 (E_RNA) where: Base-Base interactions energy: -907.000 where: short stacking energy: -391.005 Base-Backbone interact. energy: -0.925 local terms energy: -380.180630 where: bonds (distance) C4'-P energy: -59.015 bonds (distance) P-C4' energy: -79.083 flat angles C4'-P-C4' energy: -73.998 flat angles P-C4'-P energy: -48.031 tors. eta vs tors. theta energy: -120.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -1213.390829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.390829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.390829 (E_RNA) where: Base-Base interactions energy: -845.148 where: short stacking energy: -371.616 Base-Backbone interact. energy: -2.083 local terms energy: -366.159659 where: bonds (distance) C4'-P energy: -67.487 bonds (distance) P-C4' energy: -61.976 flat angles C4'-P-C4' energy: -85.938 flat angles P-C4'-P energy: -55.627 tors. eta vs tors. theta energy: -95.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -981.496613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.496613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.496613 (E_RNA) where: Base-Base interactions energy: -671.388 where: short stacking energy: -259.905 Base-Backbone interact. energy: -2.501 local terms energy: -307.608258 where: bonds (distance) C4'-P energy: -62.703 bonds (distance) P-C4' energy: -63.830 flat angles C4'-P-C4' energy: -83.622 flat angles P-C4'-P energy: -49.114 tors. eta vs tors. theta energy: -48.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -765.163650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.163650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.163650 (E_RNA) where: Base-Base interactions energy: -464.126 where: short stacking energy: -210.443 Base-Backbone interact. energy: 3.562 local terms energy: -304.599877 where: bonds (distance) C4'-P energy: -64.702 bonds (distance) P-C4' energy: -67.866 flat angles C4'-P-C4' energy: -91.997 flat angles P-C4'-P energy: -52.945 tors. eta vs tors. theta energy: -27.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -539.877273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.877273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.877273 (E_RNA) where: Base-Base interactions energy: -302.455 where: short stacking energy: -166.824 Base-Backbone interact. energy: -1.246 local terms energy: -236.177051 where: bonds (distance) C4'-P energy: -72.659 bonds (distance) P-C4' energy: -80.737 flat angles C4'-P-C4' energy: -53.549 flat angles P-C4'-P energy: -23.404 tors. eta vs tors. theta energy: -5.829 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)